(phenylmethyl) 3-(2-azanylpropanoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-(2-azanylpropanoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate Openeye Name: benzyl 3-(2-aminopropanoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate CAS Name: 3-(2-amino-1-oxopropyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-aminopropanoyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carboxylate Traditional Name: 3-alanyl-4-(2,3,4-trimethoxybenzyl)piperazine-1-carboxylic acid benzyl ester Formula: C25H33N3O6 MolecularWeight: 471.54602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1CN(CCN1CC2=C(C(=C(C=C2)OC)OC)OC)C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)C1CN(CCN1CC2=C(C(=C(C=C2)OC)OC)OC)C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C25H33N3O6/c1-17(26)22(29)20-15-28(25(30)34-16-18-8-6-5-7-9-18)13-12-27(20)14-19-10-11-21(31-2)24(33-4)23(19)32-3/h5-11,17,20H,12-16,26H2,1-4H3