methyl 2-[(3-cyanophenyl)methyl]-3-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)methyl]-3-(9H-pyrido[3,4-b]indol-3-ylcarbonylamino)butanoate Openeye Name: methyl 2-[(3-cyanophenyl)methyl]-3-(9H-pyrido[3,4-b]indole-3-carbonylamino)butanoate CAS Name: 2-[(3-cyanophenyl)methyl]-3-[[oxo(9H-pyrido[3,4-b]indol-3-yl)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methyl]-3-(9H-pyrido[3,4-b]indole-3-carbonylamino)butanoate Traditional Name: 3-(9H-$b-carboline-3-carbonylamino)-2-(3-cyanobenzyl)butyric acid methyl ester Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

Isomeric SMILES

CC(C(CC1=CC=CC(=C1)C#N)C(=O)OC)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3

InChI

InChI=1S/C25H22N4O3/c1-15(19(25(31)32-2)11-16-6-5-7-17(10-16)13-26)28-24(30)22-12-20-18-8-3-4-9-21(18)29-23(20)14-27-22/h3-10,12,14-15,19,29H,11H2,1-2H3,(H,28,30)