(phenylmethyl) 4-[1-(2-azanyl-3-oxidanyl-phenyl)propyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[1-(2-azanyl-3-oxidanyl-phenyl)propyl]piperazine-1-carboxylate Openeye Name: benzyl 4-[1-(2-amino-3-hydroxy-phenyl)propyl]piperazine-1-carboxylate CAS Name: 4-[1-(2-amino-3-hydroxyphenyl)propyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-(2-amino-3-hydroxyphenyl)propyl]piperazine-1-carboxylate Traditional Name: 4-[1-(2-amino-3-hydroxy-phenyl)propyl]piperazine-1-carboxylic acid benzyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=CC=C1)O)N)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC(C1=C(C(=CC=C1)O)N)N2CCN(CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-2-18(17-9-6-10-19(25)20(17)22)23-11-13-24(14-12-23)21(26)27-15-16-7-4-3-5-8-16/h3-10,18,25H,2,11-15,22H2,1H3