methyl 4-[[[5-(azepan-1-ylcarbonyl)-2-methyl-phenyl]amino]methyl]benzoate

Systemtic Name: methyl 4-[[[5-(azepan-1-ylcarbonyl)-2-methyl-phenyl]amino]methyl]benzoate Openeye Name: methyl 4-[[5-(azepane-1-carbonyl)-2-methyl-anilino]methyl]benzoate CAS Name: 4-[[5-[1-azepanyl(oxo)methyl]-2-methylanilino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(azepane-1-carbonyl)-2-methylanilino]methyl]benzoate Traditional Name: 4-[[5-(azepane-1-carbonyl)-2-methyl-anilino]methyl]benzoic acid methyl ester Formula: C23H28N2O3 MolecularWeight: 380.48002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCCCCC2)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O3/c1-17-7-10-20(22(26)25-13-5-3-4-6-14-25)15-21(17)24-16-18-8-11-19(12-9-18)23(27)28-2/h7-12,15,24H,3-6,13-14,16H2,1-2H3