methyl (2R)-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2R)-2-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2R)-2-[[2-[4-(m-tolylmethyl)piperazin-1-yl]acetyl]amino]-3-phenyl-propanoate CAS Name: (2R)-2-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetyl]amino]-3-phenylpropanoate Traditional Name: (2R)-2-[[2-[4-(3-methylbenzyl)piperazino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)NC(CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)CC(=O)N[C@H](CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H31N3O3/c1-19-7-6-10-21(15-19)17-26-11-13-27(14-12-26)18-23(28)25-22(24(29)30-2)16-20-8-4-3-5-9-20/h3-10,15,22H,11-14,16-18H2,1-2H3,(H,25,28)/t22-/m1/s1