(phenylmethyl) 4-[2-azanyl-3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[2-azanyl-3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[2-amino-3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-amino-3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-amino-3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-amino-3-(4-hydroxyphenyl)propyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)CC(CC3=CC=C(C=C3)O)N

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)CC(CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C22H29N3O3/c23-20(15-18-7-9-21(26)10-8-18)16-24-11-4-12-25(14-13-24)22(27)28-17-19-5-2-1-3-6-19/h1-3,5-10,20,26H,4,11-17,23H2