4-(4-phenylmethoxycarbonyl-1,4-diazepan-1-yl)benzoic acid

Systemtic Name: 4-(4-phenylmethoxycarbonyl-1,4-diazepan-1-yl)benzoic acid Openeye Name: 4-(4-benzyloxycarbonyl-1,4-diazepan-1-yl)benzoic acid CAS Name: 4-(4-phenylmethoxycarbonyl-1,4-diazepan-1-yl)benzoic acid IUPAC Name: 4-(4-phenylmethoxycarbonyl-1,4-diazepan-1-yl)benzoic acid Traditional Name: 4-(4-carbobenzoxy-1,4-diazepan-1-yl)benzoic acid Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H22N2O4/c23-19(24)17-7-9-18(10-8-17)21-11-4-12-22(14-13-21)20(25)26-15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,23,24)