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

Systemtic Name: [2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(3-methoxypyrrolidin-1-yl)butanoate Openeye Name: [2-(oxomethylene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(3-methoxypyrrolidin-1-yl)butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(3-methoxy-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-methoxypyrrolidin-1-yl)butanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-(3-methoxypyrrolidino)butyric acid [2-(ketomethylene)pyrrolidino] ester Formula: C25H33N5O4 MolecularWeight: 467.56062

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H33N5O4/c1-3-29-19(13-17-6-7-18(24(26)27)14-23(17)29)8-9-22(28-12-10-21(15-28)33-2)25(32)34-30-11-4-5-20(30)16-31/h6-7,13-14,21-22H,3-5,8-12,15H2,1-2H3,(H3,26,27)