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

Systemtic Name: [2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-ethyl-2-pyrrolidin-1-yl-butanoate Openeye Name: [2-(oxomethylene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-ethyl-2-pyrrolidin-1-yl-butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-ethyl-2-(1-pyrrolidinyl)butanoic acid [2-(oxomethylidene)-1-pyrrolidinyl] ester IUPAC Name: [2-(oxomethylidene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethylindol-2-yl)-2-ethyl-2-pyrrolidin-1-ylbutanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-ethyl-2-pyrrolidino-butyric acid [2-(ketomethylene)pyrrolidino] ester Formula: C26H35N5O3 MolecularWeight: 465.5878

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC1=CC2=C(N1CC)C=C(C=C2)C(=N)N)(C(=O)ON3CCCC3=C=O)N4CCCC4

Isomeric SMILES

CCC(CCC1=CC2=C(N1CC)C=C(C=C2)C(=N)N)(C(=O)ON3CCCC3=C=O)N4CCCC4

InChI

InChI=1S/C26H35N5O3/c1-3-26(29-13-5-6-14-29,25(33)34-31-15-7-8-22(31)18-32)12-11-21-16-19-9-10-20(24(27)28)17-23(19)30(21)4-2/h9-10,16-17H,3-8,11-15H2,1-2H3,(H3,27,28)