3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-1,5-dimethyl-indole-2-carboxylic acid CAS Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1,5-dimethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1,5-dimethylindole-2-carboxylic acid Traditional Name: 3-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-1,5-dimethyl-indole-2-carboxylic acid Formula: C20H18N2O5 MolecularWeight: 366.36732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2CC(=O)NC3=CC4=C(C=C3)OCO4)C(=O)O)C

InChI

InChI=1S/C20H18N2O5/c1-11-3-5-15-13(7-11)14(19(20(24)25)22(15)2)9-18(23)21-12-4-6-16-17(8-12)27-10-26-16/h3-8H,9-10H2,1-2H3,(H,21,23)(H,24,25)