4-[3-(dimethylamino)-3-oxidanylidene-propyl]-2-(indol-1-ylmethyl)-3-methoxy-benzoic acid

Systemtic Name: 4-[3-(dimethylamino)-3-oxidanylidene-propyl]-2-(indol-1-ylmethyl)-3-methoxy-benzoic acid Openeye Name: 4-[3-(dimethylamino)-3-oxo-propyl]-2-(indol-1-ylmethyl)-3-methoxy-benzoic acid CAS Name: 4-[3-(dimethylamino)-3-oxopropyl]-2-(1-indolylmethyl)-3-methoxybenzoic acid IUPAC Name: 4-[3-(dimethylamino)-3-oxopropyl]-2-(indol-1-ylmethyl)-3-methoxybenzoic acid Traditional Name: 4-[3-(dimethylamino)-3-keto-propyl]-2-(indol-1-ylmethyl)-3-methoxy-benzoic acid Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CCC1=C(C(=C(C=C1)C(=O)O)CN2C=CC3=CC=CC=C32)OC

Isomeric SMILES

CN(C)C(=O)CCC1=C(C(=C(C=C1)C(=O)O)CN2C=CC3=CC=CC=C32)OC

InChI

InChI=1S/C22H24N2O4/c1-23(2)20(25)11-9-16-8-10-17(22(26)27)18(21(16)28-3)14-24-13-12-15-6-4-5-7-19(15)24/h4-8,10,12-13H,9,11,14H2,1-3H3,(H,26,27)