methyl (2R)-2-[but-3-ynyl-(phenylmethyl)amino]-3-(4-methoxyphenyl)propanoate

Systemtic Name: methyl (2R)-2-[but-3-ynyl-(phenylmethyl)amino]-3-(4-methoxyphenyl)propanoate Openeye Name: methyl (2R)-2-[benzyl(but-3-ynyl)amino]-3-(4-methoxyphenyl)propanoate CAS Name: (2R)-2-[but-3-ynyl-(phenylmethyl)amino]-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[benzyl(but-3-ynyl)amino]-3-(4-methoxyphenyl)propanoate Traditional Name: (2R)-2-[benzyl(but-3-ynyl)amino]-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OC)N(CCC#C)CC2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)C[C@H](C(=O)OC)N(CCC#C)CC2=CC=CC=C2

InChI

InChI=1S/C22H25NO3/c1-4-5-15-23(17-19-9-7-6-8-10-19)21(22(24)26-3)16-18-11-13-20(25-2)14-12-18/h1,6-14,21H,5,15-17H2,2-3H3/t21-/m1/s1