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

Systemtic Name: methyl 2-[5-carbamimidoyl-1-[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl]indol-3-yl]ethanoate Openeye Name: methyl 2-[1-[2-(4-benzyl-1-piperidyl)-2-oxo-ethyl]-5-carbamimidoyl-indol-3-yl]acetate CAS Name: 2-[5-carbamimidoyl-1-[2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3-indolyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-carbamimidoylindol-3-yl]acetate Traditional Name: 2-[5-amidino-1-[2-(4-benzylpiperidino)-2-keto-ethyl]indol-3-yl]acetic acid methyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CN(C2=C1C=C(C=C2)C(=N)N)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)CC1=CN(C2=C1C=C(C=C2)C(=N)N)CC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H30N4O3/c1-33-25(32)15-21-16-30(23-8-7-20(26(27)28)14-22(21)23)17-24(31)29-11-9-19(10-12-29)13-18-5-3-2-4-6-18/h2-8,14,16,19H,9-13,15,17H2,1H3,(H3,27,28)