2-oxidanylideneethyl 3-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-2-pyrrolidin-2-yl-benzoate

Systemtic Name: 2-oxidanylideneethyl 3-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-2-pyrrolidin-2-yl-benzoate Openeye Name: 2-oxoethyl 3-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]-2-pyrrolidin-2-yl-benzoate CAS Name: 3-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-2-(2-pyrrolidinyl)benzoic acid 2-oxoethyl ester IUPAC Name: 2-oxoethyl 3-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]-2-pyrrolidin-2-ylbenzoate Traditional Name: 3-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]-2-pyrrolidin-2-yl-benzoic acid 2-ketoethyl ester Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3=CC=CC(=C3C4CCCN4)C(=O)OCC=O

Isomeric SMILES

CCN1C(=CC2=C1C=C(C=C2)C(=N)N)CCC3=CC=CC(=C3C4CCCN4)C(=O)OCC=O

InChI

InChI=1S/C26H30N4O3/c1-2-30-20(15-18-8-9-19(25(27)28)16-23(18)30)11-10-17-5-3-6-21(26(32)33-14-13-31)24(17)22-7-4-12-29-22/h3,5-6,8-9,13,15-16,22,29H,2,4,7,10-12,14H2,1H3,(H3,27,28)