ethyl 3-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxopropyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C27H33ClN4O5 MolecularWeight: 529.02772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CCN3CCN(CC3)C4=C(C=CC(=C4)Cl)C

InChI

InChI=1S/C27H33ClN4O5/c1-5-37-27(34)26-25(19-15-22(35-3)23(36-4)16-20(19)29-26)30-24(33)8-9-31-10-12-32(13-11-31)21-14-18(28)7-6-17(21)2/h6-7,14-16,29H,5,8-13H2,1-4H3,(H,30,33)