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

Systemtic Name: methyl 3-[5-carbamimidoyl-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-carbamimidoyl-indol-3-yl]propanoate CAS Name: 3-[5-carbamimidoyl-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-carbamimidoylindol-3-yl]propanoate Traditional Name: 3-[5-amidino-1-[2-(4-benzylpiperidino)-2-keto-ethyl]indol-3-yl]propionic acid methyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N4O3/c1-34-26(33)10-8-22-17-31(24-9-7-21(27(28)29)16-23(22)24)18-25(32)30-13-11-20(12-14-30)15-19-5-3-2-4-6-19/h2-7,9,16-17,20H,8,10-15,18H2,1H3,(H3,28,29)