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

Systemtic Name: ethyl 3-[3-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-1-oxopropyl]amino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(5-chloro-2-methyl-phenyl)piperazino]propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C26H31ClN4O4 MolecularWeight: 499.00174

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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=C(C=CC(=C4)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C26H31ClN4O4/c1-4-35-26(33)25-24(20-16-19(34-3)7-8-21(20)28-25)29-23(32)9-10-30-11-13-31(14-12-30)22-15-18(27)6-5-17(22)2/h5-8,15-16,28H,4,9-14H2,1-3H3,(H,29,32)