2-[3-[3-bromanyl-5-(phenylcarbamoyl)-2H-pyridin-1-yl]propanoylamino]ethyl N-(phenylmethyl)carbamate

Systemtic Name: 2-[3-[3-bromanyl-5-(phenylcarbamoyl)-2H-pyridin-1-yl]propanoylamino]ethyl N-(phenylmethyl)carbamate Openeye Name: 2-[3-[3-bromo-5-(phenylcarbamoyl)-2H-pyridin-1-yl]propanoylamino]ethyl N-benzylcarbamate CAS Name: N-(phenylmethyl)carbamic acid 2-[[3-[5-[anilino(oxo)methyl]-3-bromo-2H-pyridin-1-yl]-1-oxopropyl]amino]ethyl ester IUPAC Name: 2-[3-[3-bromo-5-(phenylcarbamoyl)-2H-pyridin-1-yl]propanoylamino]ethyl N-benzylcarbamate Traditional Name: N-benzylcarbamic acid 2-[3-[3-bromo-5-(phenylcarbamoyl)-2H-pyridin-1-yl]propanoylamino]ethyl ester Formula: C25H27BrN4O4 MolecularWeight: 527.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC(=CN1CCC(=O)NCCOC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)Br

Isomeric SMILES

C1C(=CC(=CN1CCC(=O)NCCOC(=O)NCC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)Br

InChI

InChI=1S/C25H27BrN4O4/c26-21-15-20(24(32)29-22-9-5-2-6-10-22)17-30(18-21)13-11-23(31)27-12-14-34-25(33)28-16-19-7-3-1-4-8-19/h1-10,15,17H,11-14,16,18H2,(H,27,31)(H,28,33)(H,29,32)