[1-[(3-cyanophenyl)methyl]indol-3-yl]methyl 5-azanyl-2,3-dimethyl-benzoate

Systemtic Name: [1-[(3-cyanophenyl)methyl]indol-3-yl]methyl 5-azanyl-2,3-dimethyl-benzoate Openeye Name: [1-[(3-cyanophenyl)methyl]indol-3-yl]methyl 5-amino-2,3-dimethyl-benzoate CAS Name: 5-amino-2,3-dimethylbenzoic acid [1-[(3-cyanophenyl)methyl]-3-indolyl]methyl ester IUPAC Name: [1-[(3-cyanophenyl)methyl]indol-3-yl]methyl 5-amino-2,3-dimethylbenzoate Traditional Name: 5-amino-2,3-dimethyl-benzoic acid [1-(3-cyanobenzyl)indol-3-yl]methyl ester Formula: C26H23N3O2 MolecularWeight: 409.47972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)N)C(=O)OCC2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C#N)C

Isomeric SMILES

CC1=C(C(=CC(=C1)N)C(=O)OCC2=CN(C3=CC=CC=C32)CC4=CC=CC(=C4)C#N)C

InChI

InChI=1S/C26H23N3O2/c1-17-10-22(28)12-24(18(17)2)26(30)31-16-21-15-29(25-9-4-3-8-23(21)25)14-20-7-5-6-19(11-20)13-27/h3-12,15H,14,16,28H2,1-2H3