methyl 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propanoate

Systemtic Name: methyl 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propanoate Openeye Name: methyl 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propanoate CAS Name: 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]propanoate Traditional Name: 3-[4-(4-chlorobenzyl)-1,4-diazepan-1-yl]propionic acid methyl ester Formula: C16H23ClN2O2 MolecularWeight: 310.81902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCCN(CC1)CC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCN1CCCN(CC1)CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H23ClN2O2/c1-21-16(20)7-10-18-8-2-9-19(12-11-18)13-14-3-5-15(17)6-4-14/h3-6H,2,7-13H2,1H3