methyl 4-[5-oxidanyl-4-(phenethylamino)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]benzoate

Systemtic Name: methyl 4-[5-oxidanyl-4-(phenethylamino)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]benzoate Openeye Name: methyl 4-[5-hydroxy-4-(phenethylamino)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]benzoate CAS Name: 4-[5-hydroxy-4-(phenethylamino)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-hydroxy-4-(phenethylamino)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]benzoate Traditional Name: 4-[5-hydroxy-4-(phenethylamino)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]benzoic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2CC(C(C3=CC=CC=C3O2)O)NCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2CC(C(C3=CC=CC=C3O2)O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H27NO4/c1-30-26(29)20-13-11-19(12-14-20)24-17-22(27-16-15-18-7-3-2-4-8-18)25(28)21-9-5-6-10-23(21)31-24/h2-14,22,24-25,27-28H,15-17H2,1H3