2-[(4-phenoxyphenyl)methyl-(phenylmethyl)carbamoyl]-3,4-bis(phenylmethoxycarbonyl)cyclobutane-1-carboxylic acid

Systemtic Name: 2-[(4-phenoxyphenyl)methyl-(phenylmethyl)carbamoyl]-3,4-bis(phenylmethoxycarbonyl)cyclobutane-1-carboxylic acid Openeye Name: 2,3-bis(benzyloxycarbonyl)-4-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]cyclobutanecarboxylic acid CAS Name: 2-[oxo-[(4-phenoxyphenyl)methyl-(phenylmethyl)amino]methyl]-3,4-bis(phenylmethoxycarbonyl)-1-cyclobutanecarboxylic acid IUPAC Name: 2-[benzyl-[(4-phenoxyphenyl)methyl]carbamoyl]-3,4-bis(phenylmethoxycarbonyl)cyclobutane-1-carboxylic acid Traditional Name: 2-[benzyl-(4-phenoxybenzyl)carbamoyl]-3,4-dicarbobenzoxy-cyclobutanecarboxylic acid Formula: C42H37NO8 MolecularWeight: 683.74508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)C4C(C(C4C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C42H37NO8/c44-39(43(25-29-13-5-1-6-14-29)26-30-21-23-34(24-22-30)51-33-19-11-4-12-20-33)35-36(40(45)46)38(42(48)50-28-32-17-9-3-10-18-32)37(35)41(47)49-27-31-15-7-2-8-16-31/h1-24,35-38H,25-28H2,(H,45,46)