ethyl 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-2-yl]-2-oxidanylidene-ethyl]benzoate

Systemtic Name: ethyl 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-2-yl]-2-oxidanylidene-ethyl]benzoate Openeye Name: ethyl 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-2-yl]-2-oxo-ethyl]benzoate CAS Name: 2-[2-[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-2-pyrrolidinyl]-2-oxoethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidin-2-yl]-2-oxoethyl]benzoate Traditional Name: 2-[2-[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidin-2-yl]-2-keto-ethyl]benzoic acid ethyl ester Formula: C28H34N4O3 MolecularWeight: 474.59456

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3(CCCN3)C(=O)CC4=CC=CC=C4C(=O)OCC

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3(CCCN3)C(=O)CC4=CC=CC=C4C(=O)OCC

InChI

InChI=1S/C28H34N4O3/c1-3-32-22(16-20-10-11-21(26(29)30)17-24(20)32)12-14-28(13-7-15-31-28)25(33)18-19-8-5-6-9-23(19)27(34)35-4-2/h5-6,8-11,16-17,31H,3-4,7,12-15,18H2,1-2H3,(H3,29,30)