1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate hydrochloride

Systemtic Name: 1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate hydrochloride Openeye Name: benzofuran-2-ylmethyl N-[(1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-[methyl-[(1S)-1-(4-pyridyl)ethyl]amino]-2-oxo-ethyl]carbamate hydrochloride CAS Name: N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamic acid 2-benzofuranylmethyl ester hydrochloride IUPAC Name: 1-benzofuran-2-ylmethyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-[methyl-[(1S)-1-pyridin-4-ylethyl]amino]-1-oxopropan-2-yl]carbamate hydrochloride Traditional Name: N-[(1R)-1-(1H-indol-3-ylmethyl)-2-keto-1-methyl-2-[methyl-[(1S)-1-(4-pyridyl)ethyl]amino]ethyl]carbamic acid benzofuran-2-ylmethyl ester hydrochloride Formula: C30H31ClN4O4 MolecularWeight: 547.04454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)N(C)C(=O)C(C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4.Cl

Isomeric SMILES

C[C@@H](C1=CC=NC=C1)N(C)C(=O)[C@@](C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4.Cl

InChI

InChI=1S/C30H30N4O4.ClH/c1-20(21-12-14-31-15-13-21)34(3)28(35)30(2,17-23-18-32-26-10-6-5-9-25(23)26)33-29(36)37-19-24-16-22-8-4-7-11-27(22)38-24;/h4-16,18,20,32H,17,19H2,1-3H3,(H,33,36);1H/t20-,30+;/m0./s1