[2-(oxidanylidenemethylidene)piperidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-piperidin-1-yl-butanoate

Systemtic Name: [2-(oxidanylidenemethylidene)piperidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-piperidin-1-yl-butanoate Openeye Name: [2-(oxomethylene)-1-piperidyl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(1-piperidyl)butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(1-piperidinyl)butanoic acid [2-(oxomethylidene)-1-piperidinyl] ester IUPAC Name: [2-(oxomethylidene)piperidin-1-yl] 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-piperidin-1-ylbutanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-piperidino-butyric acid [2-(ketomethylene)piperidino] ester Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)ON3CCCCC3=C=O)N4CCCCC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)ON3CCCCC3=C=O)N4CCCCC4

InChI

InChI=1S/C26H35N5O3/c1-2-30-21(16-19-9-10-20(25(27)28)17-24(19)30)11-12-23(29-13-5-3-6-14-29)26(33)34-31-15-7-4-8-22(31)18-32/h9-10,16-17,23H,2-8,11-15H2,1H3,(H3,27,28)