methyl 2-[(3-cyanophenyl)methyl]-3-(quinolin-6-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-(quinolin-6-ylcarbonylamino)butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-(quinoline-6-carbonylamino)butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo(6-quinolinyl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-(quinoline-6-carbonylamino)butanoate Traditional Name: 2-(3-cyanobenzyl)-3-(quinoline-6-carbonylamino)butyric acid methyl ester Formula: C23H21N3O3 MolecularWeight: 387.43114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C23H21N3O3/c1-15(20(23(28)29-2)12-16-5-3-6-17(11-16)14-24)26-22(27)19-8-9-21-18(13-19)7-4-10-25-21/h3-11,13,15,20H,12H2,1-2H3,(H,26,27)