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2-azanyl-3-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]propanoic acid

2-azanyl-3-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]propanoic acid

Systemtic Name:2-azanyl-3-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]propanoic acid
Openeye Name:2-amino-3-[3-[[4-(2-isopropoxyphenyl)piperazin-1-yl]methyl]phenyl]propanoic acid
CAS Name:2-amino-3-[3-[[4-(2-propan-2-yloxyphenyl)-1-piperazinyl]methyl]phenyl]propanoic acid
IUPAC Name:2-amino-3-[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]propanoic acid
Traditional Name:2-amino-3-[3-[[4-(2-isopropoxyphenyl)piperazino]methyl]phenyl]propionic acid
Formula: C23H31N3O3
MolecularWeight: 397.51054
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)CC(C(=O)O)N


Isomeric SMILES

CC(C)OC1=CC=CC=C1N2CCN(CC2)CC3=CC=CC(=C3)CC(C(=O)O)N


InChI

InChI=1S/C23H31N3O3/c1-17(2)29-22-9-4-3-8-21(22)26-12-10-25(11-13-26)16-19-7-5-6-18(14-19)15-20(24)23(27)28/h3-9,14,17,20H,10-13,15-16,24H2,1-2H3,(H,27,28)


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