pyrrolidin-1-yl 4-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-phenyl-butanoate

Systemtic Name: pyrrolidin-1-yl 4-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-phenyl-butanoate Openeye Name: pyrrolidin-1-yl 4-(6-carbamimidoyl-1-methyl-indol-2-yl)-2-phenyl-butanoate CAS Name: 4-(6-carbamimidoyl-1-methyl-2-indolyl)-2-phenylbutanoic acid 1-pyrrolidinyl ester IUPAC Name: pyrrolidin-1-yl 4-(6-carbamimidoyl-1-methylindol-2-yl)-2-phenylbutanoate Traditional Name: 4-(6-amidino-1-methyl-indol-2-yl)-2-phenyl-butyric acid pyrrolidino ester Formula: C24H28N4O2 MolecularWeight: 404.50472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3=CC=CC=C3)C(=O)ON4CCCC4

Isomeric SMILES

CN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(C3=CC=CC=C3)C(=O)ON4CCCC4

InChI

InChI=1S/C24H28N4O2/c1-27-20(15-18-9-10-19(23(25)26)16-22(18)27)11-12-21(17-7-3-2-4-8-17)24(29)30-28-13-5-6-14-28/h2-4,7-10,15-16,21H,5-6,11-14H2,1H3,(H3,25,26)