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

Systemtic Name: [2-(oxidanylidenemethylidene)piperidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate Openeye Name: [2-(oxomethylene)-1-piperidyl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(1-pyrrolidinyl)butanoic acid [2-(oxomethylidene)-1-piperidinyl] ester IUPAC Name: [2-(oxomethylidene)piperidin-1-yl] 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-pyrrolidin-1-ylbutanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-pyrrolidino-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(C(=O)ON3CCCCC3=C=O)N4CCCC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)ON3CCCCC3=C=O)N4CCCC4

InChI

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