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

Systemtic Name: [2-(oxidanylidenemethylidene)piperidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-2-yl-butanoate Openeye Name: [2-(oxomethylene)-1-piperidyl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-2-yl-butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(2-pyrrolidinyl)butanoic acid [2-(oxomethylidene)-1-piperidinyl] ester IUPAC Name: [2-(oxomethylidene)piperidin-1-yl] 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-pyrrolidin-2-ylbutanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-pyrrolidin-2-yl-butyric acid [2-(ketomethylene)piperidino] ester Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3CCCN3)C(=O)ON4CCCCC4=C=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3CCCN3)C(=O)ON4CCCCC4=C=O

InChI

InChI=1S/C25H33N5O3/c1-2-29-19(14-17-8-9-18(24(26)27)15-23(17)29)10-11-21(22-7-5-12-28-22)25(32)33-30-13-4-3-6-20(30)16-31/h8-9,14-15,21-22,28H,2-7,10-13H2,1H3,(H3,26,27)