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

Systemtic Name: methyl 4-methoxy-3-[3-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-benzylpiperazin-1-yl)propanoylamino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 4-methoxy-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperazinyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-benzylpiperazin-1-yl)propanoylamino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperazino)propanoylamino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-32-20-10-6-9-19-22(20)23(24(26-19)25(31)33-2)27-21(30)11-12-28-13-15-29(16-14-28)17-18-7-4-3-5-8-18/h3-10,26H,11-17H2,1-2H3,(H,27,30)