(phenylmethyl) 2-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-oxomethyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(2-p-phenetylbenzotriazol-5-yl)carbamoyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C27H27N5O4 MolecularWeight: 485.53438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4CCCN4C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4CCCN4C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H27N5O4/c1-2-35-22-13-11-21(12-14-22)32-29-23-15-10-20(17-24(23)30-32)28-26(33)25-9-6-16-31(25)27(34)36-18-19-7-4-3-5-8-19/h3-5,7-8,10-15,17,25H,2,6,9,16,18H2,1H3,(H,28,33)