[3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl] benzoate

Systemtic Name: [3-(2-azanyl-2-oxidanylidene-ethyl)-2-methyl-1-(phenylmethyl)indol-5-yl] benzoate Openeye Name: [3-(2-amino-2-oxo-ethyl)-1-benzyl-2-methyl-indol-5-yl] benzoate CAS Name: benzoic acid [3-(2-amino-2-oxoethyl)-2-methyl-1-(phenylmethyl)-5-indolyl] ester IUPAC Name: [3-(2-amino-2-oxoethyl)-1-benzyl-2-methylindol-5-yl] benzoate Traditional Name: benzoic acid [3-(2-amino-2-keto-ethyl)-1-benzyl-2-methyl-indol-5-yl] ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC(=O)C4=CC=CC=C4)CC(=O)N

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC(=O)C4=CC=CC=C4)CC(=O)N

InChI

InChI=1S/C25H22N2O3/c1-17-21(15-24(26)28)22-14-20(30-25(29)19-10-6-3-7-11-19)12-13-23(22)27(17)16-18-8-4-2-5-9-18/h2-14H,15-16H2,1H3,(H2,26,28)