methyl 2-[ethynyl(phenylmethoxycarbonyl)amino]-3-(1H-imidazol-5-yl)propanoate

Systemtic Name: methyl 2-[ethynyl(phenylmethoxycarbonyl)amino]-3-(1H-imidazol-5-yl)propanoate Openeye Name: methyl 2-[benzyloxycarbonyl(ethynyl)amino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 2-[ethynyl(phenylmethoxycarbonyl)amino]-3-(1H-imidazol-5-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[ethynyl(phenylmethoxycarbonyl)amino]-3-(1H-imidazol-5-yl)propanoate Traditional Name: 2-[carbobenzoxy(ethynyl)amino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CN=CN1)N(C#C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CN=CN1)N(C#C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H17N3O4/c1-3-20(17(22)24-11-13-7-5-4-6-8-13)15(16(21)23-2)9-14-10-18-12-19-14/h1,4-8,10,12,15H,9,11H2,2H3,(H,18,19)