[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-[(4-chlorophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[(4-chlorobenzoyl)amino]-4-methyl-pentanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-4-methylpentanoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]-4-methylpentanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-4-methyl-valeric acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C21H29ClN2O4 MolecularWeight: 408.91896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)N1CCCCCC1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H29ClN2O4/c1-15(2)13-18(23-20(26)16-7-9-17(22)10-8-16)21(27)28-14-19(25)24-11-5-3-4-6-12-24/h7-10,15,18H,3-6,11-14H2,1-2H3,(H,23,26)