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

Systemtic Name: [2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 2-(azetidin-1-yl)-4-(6-carbamimidoyl-1-ethyl-indol-2-yl)butanoate Openeye Name: [2-(oxomethylene)pyrrolidin-1-yl] 2-(azetidin-1-yl)-4-(6-carbamimidoyl-1-ethyl-indol-2-yl)butanoate CAS Name: 2-(1-azetidinyl)-4-(6-carbamimidoyl-1-ethyl-2-indolyl)butanoic acid [2-(oxomethylidene)-1-pyrrolidinyl] ester IUPAC Name: [2-(oxomethylidene)pyrrolidin-1-yl] 2-(azetidin-1-yl)-4-(6-carbamimidoyl-1-ethylindol-2-yl)butanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-(azetidin-1-yl)butyric acid [2-(ketomethylene)pyrrolidino] ester Formula: C23H29N5O3 MolecularWeight: 423.50806

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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)N4CCC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)ON3CCCC3=C=O)N4CCC4

InChI

InChI=1S/C23H29N5O3/c1-2-27-18(13-16-6-7-17(22(24)25)14-21(16)27)8-9-20(26-10-4-11-26)23(30)31-28-12-3-5-19(28)15-29/h6-7,13-14,20H,2-5,8-12H2,1H3,(H3,24,25)