(phenylmethyl) 2-[4-[2-(4-phenylmethoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[4-[2-(4-phenylmethoxyphenyl)ethanoyl]-1,4-diazepan-1-yl]ethanoate Openeye Name: benzyl 2-[4-[2-(4-benzyloxyphenyl)acetyl]-1,4-diazepan-1-yl]acetate CAS Name: 2-[4-[1-oxo-2-(4-phenylmethoxyphenyl)ethyl]-1,4-diazepan-1-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-[2-(4-phenylmethoxyphenyl)acetyl]-1,4-diazepan-1-yl]acetate Traditional Name: 2-[4-[2-(4-benzoxyphenyl)acetyl]-1,4-diazepan-1-yl]acetic acid benzyl ester Formula: C29H32N2O4 MolecularWeight: 472.57538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC=C(C=C2)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H32N2O4/c32-28(20-24-12-14-27(15-13-24)34-22-25-8-3-1-4-9-25)31-17-7-16-30(18-19-31)21-29(33)35-23-26-10-5-2-6-11-26/h1-6,8-15H,7,16-23H2