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

Systemtic Name: methyl 4-(4-azanyl-5-oxidanyl-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoate Openeye Name: methyl 4-(4-amino-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoate CAS Name: 4-(4-amino-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-amino-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoate Traditional Name: 4-(4-amino-5-hydroxy-2,3,4,5-tetrahydro-1-benzoxepin-2-yl)benzoic acid methyl ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2CC(C(C3=CC=CC=C3O2)O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2CC(C(C3=CC=CC=C3O2)O)N

InChI

InChI=1S/C18H19NO4/c1-22-18(21)12-8-6-11(7-9-12)16-10-14(19)17(20)13-4-2-3-5-15(13)23-16/h2-9,14,16-17,20H,10,19H2,1H3