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

Systemtic Name: methyl 5-chloranyl-3-[3-[4-(phenylmethyl)piperidin-1-yl]propanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-(4-benzyl-1-piperidyl)propanoylamino]-5-chloro-1H-indole-2-carboxylate CAS Name: 5-chloro-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-chloro-1H-indole-2-carboxylate Traditional Name: 3-[3-(4-benzylpiperidino)propanoylamino]-5-chloro-1H-indole-2-carboxylic acid methyl ester Formula: C25H28ClN3O3 MolecularWeight: 453.96112

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CCN3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Cl)NC(=O)CCN3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28ClN3O3/c1-32-25(31)24-23(20-16-19(26)7-8-21(20)27-24)28-22(30)11-14-29-12-9-18(10-13-29)15-17-5-3-2-4-6-17/h2-8,16,18,27H,9-15H2,1H3,(H,28,30)