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

Systemtic Name: [4-methoxy-3-(oxidanylidenemethylidene)pyrrolidin-2-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-pyrrolidin-1-yl-butanoate Openeye Name: [4-methoxy-3-(oxomethylene)pyrrolidin-2-yl] 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 [4-methoxy-3-(oxomethylidene)-2-pyrrolidinyl] ester IUPAC Name: [4-methoxy-3-(oxomethylidene)pyrrolidin-2-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 [3-(ketomethylene)-4-methoxy-pyrrolidin-2-yl] 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)OC3C(=C=O)C(CN3)OC)N4CCCC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)OC3C(=C=O)C(CN3)OC)N4CCCC4

InChI

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