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

Systemtic Name: [2-(oxidanylidenemethylidene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-phenyl-2-pyrrolidin-1-yl-butanoate Openeye Name: [2-(oxomethylene)pyrrolidin-1-yl] 4-(6-carbamimidoyl-1-ethyl-indol-2-yl)-2-phenyl-2-pyrrolidin-1-yl-butanoate CAS Name: 4-(6-carbamimidoyl-1-ethyl-2-indolyl)-2-phenyl-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-phenyl-2-pyrrolidin-1-ylbutanoate Traditional Name: 4-(6-amidino-1-ethyl-indol-2-yl)-2-phenyl-2-pyrrolidino-butyric acid [2-(ketomethylene)pyrrolidino] ester Formula: C30H35N5O3 MolecularWeight: 513.6306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3=CC=CC=C3)(C(=O)ON4CCCC4=C=O)N5CCCC5

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3=CC=CC=C3)(C(=O)ON4CCCC4=C=O)N5CCCC5

InChI

InChI=1S/C30H35N5O3/c1-2-34-25(19-22-12-13-23(28(31)32)20-27(22)34)14-15-30(33-16-6-7-17-33,24-9-4-3-5-10-24)29(37)38-35-18-8-11-26(35)21-36/h3-5,9-10,12-13,19-20H,2,6-8,11,14-18H2,1H3,(H3,31,32)