2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-oxidanylidene-2-phenoxy-4-pyrrolidin-2-yl-butanoic acid

Systemtic Name: 2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-oxidanylidene-2-phenoxy-4-pyrrolidin-2-yl-butanoic acid Openeye Name: 2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-4-oxo-2-phenoxy-4-pyrrolidin-2-yl-butanoic acid CAS Name: 2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-4-oxo-2-phenoxy-4-(2-pyrrolidinyl)butanoic acid IUPAC Name: 2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-4-oxo-2-phenoxy-4-pyrrolidin-2-ylbutanoic acid Traditional Name: 2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]-4-keto-2-phenoxy-4-pyrrolidin-2-yl-butyric acid Formula: C27H32N4O4 MolecularWeight: 476.56738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(CC(=O)C3CCCN3)(C(=O)O)OC4=CC=CC=C4

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC(CC(=O)C3CCCN3)(C(=O)O)OC4=CC=CC=C4

InChI

InChI=1S/C27H32N4O4/c1-2-31-20(15-18-10-11-19(25(28)29)16-23(18)31)12-13-27(26(33)34,35-21-7-4-3-5-8-21)17-24(32)22-9-6-14-30-22/h3-5,7-8,10-11,15-16,22,30H,2,6,9,12-14,17H2,1H3,(H3,28,29)(H,33,34)