4-[[2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoic acid

Systemtic Name: 4-[[2-oxidanylidene-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoic acid Openeye Name: 4-[[2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]benzoic acid CAS Name: 4-[[2-oxo-1-(1-piperidinylmethyl)-3-indolylidene]amino]benzoic acid IUPAC Name: 4-[[2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]benzoic acid Traditional Name: 4-[[2-keto-1-(piperidinomethyl)indolin-3-ylidene]amino]benzoic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)C(=O)O)C2=O

Isomeric SMILES

C1CCN(CC1)CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)C(=O)O)C2=O

InChI

InChI=1S/C21H21N3O3/c25-20-19(22-16-10-8-15(9-11-16)21(26)27)17-6-2-3-7-18(17)24(20)14-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H,26,27)