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

Systemtic Name: [4-methoxy-3-(oxidanylidenemethylidene)pyrrolidin-2-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-piperidin-1-yl-butanoate Openeye Name: [4-methoxy-3-(oxomethylene)pyrrolidin-2-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-(1-piperidyl)butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-(1-piperidinyl)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-piperidin-1-ylbutanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-piperidino-butyric acid [3-(ketomethylene)-4-methoxy-pyrrolidin-2-yl] ester Formula: C26H35N5O4 MolecularWeight: 481.5872

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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)N4CCCCC4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C(=O)OC3C(=C=O)C(CN3)OC)N4CCCCC4

InChI

InChI=1S/C26H35N5O4/c1-3-31-19(13-17-7-8-18(24(27)28)14-22(17)31)9-10-21(30-11-5-4-6-12-30)26(33)35-25-20(16-32)23(34-2)15-29-25/h7-8,13-14,21,23,25,29H,3-6,9-12,15H2,1-2H3,(H3,27,28)