[2-[2-[1-(pyridin-2-ylmethyl)indol-3-yl]ethylcarbamoyl]phenyl]methyl benzoate

Systemtic Name: [2-[2-[1-(pyridin-2-ylmethyl)indol-3-yl]ethylcarbamoyl]phenyl]methyl benzoate Openeye Name: [2-[2-[1-(2-pyridylmethyl)indol-3-yl]ethylcarbamoyl]phenyl]methyl benzoate CAS Name: benzoic acid [2-[oxo-[2-[1-(2-pyridinylmethyl)-3-indolyl]ethylamino]methyl]phenyl]methyl ester IUPAC Name: [2-[2-[1-(pyridin-2-ylmethyl)indol-3-yl]ethylcarbamoyl]phenyl]methyl benzoate Traditional Name: benzoic acid [2-[2-[1-(2-pyridylmethyl)indol-3-yl]ethylcarbamoyl]benzyl] ester Formula: C31H27N3O3 MolecularWeight: 489.56438

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)NCCC3=CN(C4=CC=CC=C43)CC5=CC=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)NCCC3=CN(C4=CC=CC=C43)CC5=CC=CC=N5

InChI

InChI=1S/C31H27N3O3/c35-30(28-15-5-4-12-25(28)22-37-31(36)23-10-2-1-3-11-23)33-19-17-24-20-34(21-26-13-8-9-18-32-26)29-16-7-6-14-27(24)29/h1-16,18,20H,17,19,21-22H2,(H,33,35)