2-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-2-ethoxy-2-phenyl-ethanoic acid

Systemtic Name: 2-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-2-ethoxy-2-phenyl-ethanoic acid Openeye Name: 2-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-2-ethoxy-2-phenyl-acetic acid CAS Name: 2-[2-(4-chlorophenyl)-2-(phenylmethyl)-1,4-diazepan-1-yl]-2-ethoxy-2-phenylacetic acid IUPAC Name: 2-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-2-ethoxy-2-phenylacetic acid Traditional Name: 2-[2-benzyl-2-(4-chlorophenyl)-1,4-diazepan-1-yl]-2-ethoxy-2-phenyl-acetic acid Formula: C28H31ClN2O3 MolecularWeight: 479.01034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)(C(=O)O)N2CCCNCC2(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(C1=CC=CC=C1)(C(=O)O)N2CCCNCC2(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H31ClN2O3/c1-2-34-28(26(32)33,24-12-7-4-8-13-24)31-19-9-18-30-21-27(31,20-22-10-5-3-6-11-22)23-14-16-25(29)17-15-23/h3-8,10-17,30H,2,9,18-21H2,1H3,(H,32,33)