4-oxidanylidene-4-[[1-(phenylmethyl)indol-3-yl]methylamino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[1-(phenylmethyl)indol-3-yl]methylamino]butanoic acid Openeye Name: 4-[(1-benzylindol-3-yl)methylamino]-4-oxo-butanoic acid CAS Name: 4-oxo-4-[[1-(phenylmethyl)-3-indolyl]methylamino]butanoic acid IUPAC Name: 4-[(1-benzylindol-3-yl)methylamino]-4-oxobutanoic acid Traditional Name: 4-[(1-benzylindol-3-yl)methylamino]-4-keto-butyric acid Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CNC(=O)CCC(=O)O

InChI

InChI=1S/C20H20N2O3/c23-19(10-11-20(24)25)21-12-16-14-22(13-15-6-2-1-3-7-15)18-9-5-4-8-17(16)18/h1-9,14H,10-13H2,(H,21,23)(H,24,25)