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

Systemtic Name: ethyl 1-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[2-[2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxo-ethyl]piperidine-2-carboxylate CAS Name: 1-[2-[2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-1-pyrrolidinyl]-2-oxoethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxoethyl]piperidine-2-carboxylate Traditional Name: 1-[2-[2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidino]-2-keto-ethyl]pipecolinic acid ethyl ester Formula: C27H39N5O3 MolecularWeight: 481.63026

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)CN4CCCCC4C(=O)OCC

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3CCCN3C(=O)CN4CCCCC4C(=O)OCC

InChI

InChI=1S/C27H39N5O3/c1-3-31-22(16-19-10-11-20(26(28)29)17-24(19)31)13-12-21-8-7-15-32(21)25(33)18-30-14-6-5-9-23(30)27(34)35-4-2/h10-11,16-17,21,23H,3-9,12-15,18H2,1-2H3,(H3,28,29)