[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4,6-dimethyl-1H-indole-2-carboxylate CAS Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4,6-dimethyl-1H-indole-2-carboxylate Traditional Name: 4,6-dimethyl-1H-indole-2-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H20N2O5/c1-11-6-12(2)15-9-17(23-16(15)7-11)21(25)28-13(3)20(24)22-14-4-5-18-19(8-14)27-10-26-18/h4-9,13,23H,10H2,1-3H3,(H,22,24)