methyl 2-[(4-ethynylphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(4-ethynylphenyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-(N-tert-butoxycarbonyl-4-ethynyl-anilino)-3-phenyl-propanoate CAS Name: 2-(4-ethynyl-N-[(2-methylpropan-2-yl)oxy-oxomethyl]anilino)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-ethynyl-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-3-phenylpropanoate Traditional Name: 2-(N-tert-butoxycarbonyl-4-ethynyl-anilino)-3-phenyl-propionic acid methyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO4/c1-6-17-12-14-19(15-13-17)24(22(26)28-23(2,3)4)20(21(25)27-5)16-18-10-8-7-9-11-18/h1,7-15,20H,16H2,2-5H3