tert-butyl N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxidanylidene-3-pyridin-4-yl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[2-(4-hydroxyphenyl)ethylamino]-2-oxo-1-(4-pyridylmethyl)ethyl]carbamate CAS Name: N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[2-(4-hydroxyphenyl)ethylamino]-1-oxo-3-pyridin-4-ylpropan-2-yl]carbamate Traditional Name: N-[(1S)-2-[2-(4-hydroxyphenyl)ethylamino]-2-keto-1-(4-pyridylmethyl)ethyl]carbamic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=NC=C1)C(=O)NCCC2=CC=C(C=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=NC=C1)C(=O)NCCC2=CC=C(C=C2)O

InChI

InChI=1S/C21H27N3O4/c1-21(2,3)28-20(27)24-18(14-16-8-11-22-12-9-16)19(26)23-13-10-15-4-6-17(25)7-5-15/h4-9,11-12,18,25H,10,13-14H2,1-3H3,(H,23,26)(H,24,27)/t18-/m0/s1