methyl 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]benzoate CAS Name: 4-[[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]benzoate Traditional Name: 4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]benzoic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C21H28N2O4/c1-27-21(26)18-8-6-16(7-9-18)19(24)23-14-10-17(11-15-23)20(25)22-12-4-2-3-5-13-22/h6-9,17H,2-5,10-15H2,1H3