methyl 6-methoxy-3-[2-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methoxy-3-[2-[4-(phenylmethyl)piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(4-benzylpiperazin-1-yl)propanoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[2-(4-benzylpiperazino)propanoylamino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(NC2=C1C=CC(=C2)OC)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=C(NC2=C1C=CC(=C2)OC)C(=O)OC)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O4/c1-17(29-13-11-28(12-14-29)16-18-7-5-4-6-8-18)24(30)27-22-20-10-9-19(32-2)15-21(20)26-23(22)25(31)33-3/h4-10,15,17,26H,11-14,16H2,1-3H3,(H,27,30)