methyl 4-(4-acetamido-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoate

Systemtic Name: methyl 4-(4-acetamido-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoate Openeye Name: methyl 4-(4-acetamido-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoate CAS Name: 4-(4-acetamido-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetamido-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoate Traditional Name: 4-(4-acetamido-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoic acid methyl ester Formula: C20H21NO5 MolecularWeight: 355.38444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CC(OC2=CC=CC=C2C1O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1CC(OC2=CC=CC=C2C1O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21NO5/c1-12(22)21-16-11-18(13-7-9-14(10-8-13)20(24)25-2)26-17-6-4-3-5-15(17)19(16)23/h3-10,16,18-19,23H,11H2,1-2H3,(H,21,22)