ethyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(2,3-dimethylphenyl)piperazino]propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C27H34N4O4 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCN(CC3)C4=CC=CC(=C4C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCN(CC3)C4=CC=CC(=C4C)C

InChI

InChI=1S/C27H34N4O4/c1-5-35-27(33)26-25(21-17-20(34-4)9-10-22(21)28-26)29-24(32)11-12-30-13-15-31(16-14-30)23-8-6-7-18(2)19(23)3/h6-10,17,28H,5,11-16H2,1-4H3,(H,29,32)