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

Systemtic Name: ethyl 5-methoxy-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[3-(4-benzylpiperazin-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[3-(4-benzylpiperazin-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperazino)propanoylamino]-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C26H32N4O4 MolecularWeight: 464.55668

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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)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=O)CCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O4/c1-3-34-26(32)25-24(21-17-20(33-2)9-10-22(21)27-25)28-23(31)11-12-29-13-15-30(16-14-29)18-19-7-5-4-6-8-19/h4-10,17,27H,3,11-16,18H2,1-2H3,(H,28,31)