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

Systemtic Name: (phenylmethyl) 4-[2-azanyl-3-(4-hydroxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-tyrosyl-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c23-20(15-17-7-9-19(26)10-8-17)21(27)24-11-4-12-25(14-13-24)22(28)29-16-18-5-2-1-3-6-18/h1-3,5-10,20,26H,4,11-16,23H2