methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-oxopropyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoylamino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 6-methoxy-3-[3-(4-piperonylpiperazino)propanoylamino]-1H-indole-2-carboxylic acid methyl ester Formula: C26H30N4O6 MolecularWeight: 494.5396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H30N4O6/c1-33-18-4-5-19-20(14-18)27-25(26(32)34-2)24(19)28-23(31)7-8-29-9-11-30(12-10-29)15-17-3-6-21-22(13-17)36-16-35-21/h3-6,13-14,27H,7-12,15-16H2,1-2H3,(H,28,31)