4-[2-(2-azanyl-2-oxidanylidene-ethoxy)-6-phenylmethoxy-phenyl]carbonyl-3,5-bis(phenylmethoxy)benzoic acid

Systemtic Name: 4-[2-(2-azanyl-2-oxidanylidene-ethoxy)-6-phenylmethoxy-phenyl]carbonyl-3,5-bis(phenylmethoxy)benzoic acid Openeye Name: 4-[2-(2-amino-2-oxo-ethoxy)-6-benzyloxy-benzoyl]-3,5-dibenzyloxy-benzoic acid CAS Name: 4-[[2-(2-amino-2-oxoethoxy)-6-phenylmethoxyphenyl]-oxomethyl]-3,5-bis(phenylmethoxy)benzoic acid IUPAC Name: 4-[2-(2-amino-2-oxoethoxy)-6-phenylmethoxybenzoyl]-3,5-bis(phenylmethoxy)benzoic acid Traditional Name: 4-[2-(2-amino-2-keto-ethoxy)-6-benzoxy-benzoyl]-3,5-dibenzoxy-benzoic acid Formula: C37H31NO8 MolecularWeight: 617.64394

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C(=CC=C2)OCC(=O)N)C(=O)C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C(=CC=C2)OCC(=O)N)C(=O)C3=C(C=C(C=C3OCC4=CC=CC=C4)C(=O)O)OCC5=CC=CC=C5

InChI

InChI=1S/C37H31NO8/c38-33(39)24-46-30-18-10-17-29(43-21-25-11-4-1-5-12-25)34(30)36(40)35-31(44-22-26-13-6-2-7-14-26)19-28(37(41)42)20-32(35)45-23-27-15-8-3-9-16-27/h1-20H,21-24H2,(H2,38,39)(H,41,42)