2-[3-[(3-aminophenyl)methyl]indol-1-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-[3-[(3-aminophenyl)methyl]indol-1-yl]-4-oxidanylidene-butanoic acid Openeye Name: 2-[3-[(3-aminophenyl)methyl]indol-1-yl]-4-oxo-butanoic acid CAS Name: 2-[3-[(3-aminophenyl)methyl]-1-indolyl]-4-oxobutanoic acid IUPAC Name: 2-[3-[(3-aminophenyl)methyl]indol-1-yl]-4-oxobutanoic acid Traditional Name: 2-[3-(3-aminobenzyl)indol-1-yl]-4-keto-butyric acid Formula: C19H18N2O3 MolecularWeight: 322.35782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2C(CC=O)C(=O)O)CC3=CC(=CC=C3)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2C(CC=O)C(=O)O)CC3=CC(=CC=C3)N

InChI

InChI=1S/C19H18N2O3/c20-15-5-3-4-13(11-15)10-14-12-21(18(8-9-22)19(23)24)17-7-2-1-6-16(14)17/h1-7,9,11-12,18H,8,10,20H2,(H,23,24)