tert-butyl (3S)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-4-yl-propanoate

Systemtic Name: tert-butyl (3S)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-4-yl-propanoate Openeye Name: tert-butyl (3S)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-(4-pyridyl)propanoate CAS Name: (3S)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-4-ylpropanoic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-4-ylpropanoate Traditional Name: (3S)-3-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-3-(4-pyridyl)propionic acid tert-butyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)NC(CC(=O)OC(C)(C)C)C2=CC=NC=C2

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)OC)N[C@@H](CC(=O)OC(C)(C)C)C2=CC=NC=C2

InChI

InChI=1S/C21H28N2O3/c1-15(16-6-8-18(25-5)9-7-16)23-19(17-10-12-22-13-11-17)14-20(24)26-21(2,3)4/h6-13,15,19,23H,14H2,1-5H3/t15-,19+/m1/s1