methyl 4-[2-(4-methoxyphenyl)azepan-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[2-(4-methoxyphenyl)azepan-1-yl]carbonylbenzoate Openeye Name: methyl 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzoate CAS Name: 4-[[2-(4-methoxyphenyl)-1-azepanyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzoate Traditional Name: 4-[2-(4-methoxyphenyl)azepane-1-carbonyl]benzoic acid methyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25NO4/c1-26-19-13-11-16(12-14-19)20-6-4-3-5-15-23(20)21(24)17-7-9-18(10-8-17)22(25)27-2/h7-14,20H,3-6,15H2,1-2H3