methyl 5-[(1R,2S)-2-[(2-bromophenyl)-methoxycarbonyl-amino]-1-oxidanyl-but-3-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: methyl 5-[(1R,2S)-2-[(2-bromophenyl)-methoxycarbonyl-amino]-1-oxidanyl-but-3-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate Openeye Name: methyl 5-[(1R,2S)-2-(2-bromo-N-methoxycarbonyl-anilino)-1-hydroxy-but-3-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate CAS Name: 5-[(1R,2S)-2-(2-bromo-N-methoxycarbonylanilino)-1-hydroxybut-3-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-[(1R,2S)-2-(2-bromo-N-methoxycarbonylanilino)-1-hydroxybut-3-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylate Traditional Name: 5-[(1R,2S)-2-(2-bromo-N-carbomethoxy-anilino)-1-hydroxy-but-3-ynyl]-3,4-dihydro-2H-pyridine-1-carboxylic acid methyl ester Formula: C19H21BrN2O5 MolecularWeight: 437.28444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CCCC(=C1)C(C(C#C)N(C2=CC=CC=C2Br)C(=O)OC)O

Isomeric SMILES

COC(=O)N1CCCC(=C1)[C@H]([C@H](C#C)N(C2=CC=CC=C2Br)C(=O)OC)O

InChI

InChI=1S/C19H21BrN2O5/c1-4-15(17(23)13-8-7-11-21(12-13)18(24)26-2)22(19(25)27-3)16-10-6-5-9-14(16)20/h1,5-6,9-10,12,15,17,23H,7-8,11H2,2-3H3/t15-,17+/m0/s1