[2-(2-cyanophenyl)quinolin-6-yl]methyl 3-methyl-2-[pentanoyl-(phenylmethyl)amino]butanoate

Systemtic Name: [2-(2-cyanophenyl)quinolin-6-yl]methyl 3-methyl-2-[pentanoyl-(phenylmethyl)amino]butanoate Openeye Name: [2-(2-cyanophenyl)-6-quinolyl]methyl 2-[benzyl(pentanoyl)amino]-3-methyl-butanoate CAS Name: 3-methyl-2-[1-oxopentyl-(phenylmethyl)amino]butanoic acid [2-(2-cyanophenyl)-6-quinolinyl]methyl ester IUPAC Name: [2-(2-cyanophenyl)quinolin-6-yl]methyl 2-[benzyl(pentanoyl)amino]-3-methylbutanoate Traditional Name: 2-[benzyl(valeryl)amino]-3-methyl-butyric acid [2-(2-cyanophenyl)-6-quinolyl]methyl ester Formula: C34H35N3O3 MolecularWeight: 533.66

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N(CC1=CC=CC=C1)C(C(C)C)C(=O)OCC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCC(=O)N(CC1=CC=CC=C1)C(C(C)C)C(=O)OCC2=CC3=C(C=C2)N=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C34H35N3O3/c1-4-5-15-32(38)37(22-25-11-7-6-8-12-25)33(24(2)3)34(39)40-23-26-16-18-30-27(20-26)17-19-31(36-30)29-14-10-9-13-28(29)21-35/h6-14,16-20,24,33H,4-5,15,22-23H2,1-3H3