methyl 3-[5-cyano-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]indol-3-yl]propanoate

Systemtic Name: methyl 3-[5-cyano-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]indol-3-yl]propanoate Openeye Name: methyl 3-[1-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-5-cyano-indol-3-yl]propanoate CAS Name: 3-[5-cyano-1-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-indolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-cyanoindol-3-yl]propanoate Traditional Name: 3-[1-[2-(4-benzylpiperidino)-2-keto-ethyl]-5-cyano-indol-3-yl]propionic acid methyl ester Formula: C27H29N3O3 MolecularWeight: 443.53746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(C2=C1C=C(C=C2)C#N)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CCC1=CN(C2=C1C=C(C=C2)C#N)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O3/c1-33-27(32)10-8-23-18-30(25-9-7-22(17-28)16-24(23)25)19-26(31)29-13-11-21(12-14-29)15-20-5-3-2-4-6-20/h2-7,9,16,18,21H,8,10-15,19H2,1H3