[2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(3-methylpyrrolidin-1-yl)butanoate

Systemtic Name: [2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(3-methylpyrrolidin-1-yl)butanoate Openeye Name: [2-(oxomethylene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(3-methylpyrrolidin-1-yl)butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(3-methyl-1-pyrrolidinyl)butanoic acid [2-(oxomethylidene)-1-pyrrolidinyl] ester IUPAC Name: [2-(oxomethylidene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-(3-methylpyrrolidin-1-yl)butanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-(3-methylpyrrolidino)butyric acid [2-(ketomethylene)pyrrolidino] 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)ON3CCCC3=C=O)N4CCC(C4)C

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)ON3CCCC3=C=O)N4CCC(C4)C

InChI

InChI=1S/C25H33N5O3/c1-3-29-20(13-18-6-7-19(24(26)27)14-23(18)29)8-9-22(28-12-10-17(2)15-28)25(32)33-30-11-4-5-21(30)16-31/h6-7,13-14,17,22H,3-5,8-12,15H2,1-2H3,(H3,26,27)