methyl 5-methyl-3-[3-[4-(phenylmethyl)piperidin-1-yl]propanoylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 5-methyl-3-[3-[4-(phenylmethyl)piperidin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-benzyl-1-piperidyl)propanoylamino]-5-methyl-1H-indole-2-carboxylate CAS Name: 5-methyl-3-[[1-oxo-3-[4-(phenylmethyl)-1-piperidinyl]propyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-benzylpiperidin-1-yl)propanoylamino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperidino)propanoylamino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)CCN3CCC(CC3)CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)CCN3CCC(CC3)CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H31N3O3/c1-18-8-9-22-21(16-18)24(25(27-22)26(31)32-2)28-23(30)12-15-29-13-10-20(11-14-29)17-19-6-4-3-5-7-19/h3-9,16,20,27H,10-15,17H2,1-2H3,(H,28,30)