2-[7-chloranyl-1-[(2,4-dimethoxyphenyl)methyl]-5-(2-methoxy-3-phenylmethoxy-phenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid

Systemtic Name: 2-[7-chloranyl-1-[(2,4-dimethoxyphenyl)methyl]-5-(2-methoxy-3-phenylmethoxy-phenyl)-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoic acid Openeye Name: 2-[5-(3-benzyloxy-2-methoxy-phenyl)-7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid CAS Name: 2-[7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-5-(2-methoxy-3-phenylmethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid IUPAC Name: 2-[7-chloro-1-[(2,4-dimethoxyphenyl)methyl]-5-(2-methoxy-3-phenylmethoxyphenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetic acid Traditional Name: 2-[5-(3-benzoxy-2-methoxy-phenyl)-7-chloro-1-(2,4-dimethoxybenzyl)-2-keto-5H-4,1-benzoxazepin-3-yl]acetic acid Formula: C34H32ClNO8 MolecularWeight: 618.07278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CC(=O)O)C4=C(C(=CC=C4)OCC5=CC=CC=C5)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C(OC(C2=O)CC(=O)O)C4=C(C(=CC=C4)OCC5=CC=CC=C5)OC)OC

InChI

InChI=1S/C34H32ClNO8/c1-40-24-14-12-22(29(17-24)41-2)19-36-27-15-13-23(35)16-26(27)32(44-30(34(36)39)18-31(37)38)25-10-7-11-28(33(25)42-3)43-20-21-8-5-4-6-9-21/h4-17,30,32H,18-20H2,1-3H3,(H,37,38)