[3-phenylpropyl(3-phenylpropylcarbamoyl)carbamoyl] 1,3-benzoxazole-2-carboxylate

Systemtic Name: [3-phenylpropyl(3-phenylpropylcarbamoyl)carbamoyl] 1,3-benzoxazole-2-carboxylate Openeye Name: [3-phenylpropyl(3-phenylpropylcarbamoyl)carbamoyl] 1,3-benzoxazole-2-carboxylate CAS Name: 1,3-benzoxazole-2-carboxylic acid [oxo-[[oxo-(3-phenylpropylamino)methyl]-(3-phenylpropyl)amino]methyl] ester IUPAC Name: [3-phenylpropyl(3-phenylpropylcarbamoyl)carbamoyl] 1,3-benzoxazole-2-carboxylate Traditional Name: 1,3-benzoxazole-2-carboxylic acid [3-phenylpropyl(3-phenylpropylcarbamoyl)carbamoyl] ester Formula: C28H27N3O5 MolecularWeight: 485.53108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)N(CCCC2=CC=CC=C2)C(=O)OC(=O)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)N(CCCC2=CC=CC=C2)C(=O)OC(=O)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C28H27N3O5/c32-26(25-30-23-17-7-8-18-24(23)35-25)36-28(34)31(20-10-16-22-13-5-2-6-14-22)27(33)29-19-9-15-21-11-3-1-4-12-21/h1-8,11-14,17-18H,9-10,15-16,19-20H2,(H,29,33)