methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-prop-2-enyl]-but-3-ynoyl-amino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-prop-2-enyl]-but-3-ynoyl-amino]-3-methyl-pentanoate Openeye Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonyl-allyl]-but-3-ynoyl-amino]-3-methyl-pentanoate CAS Name: 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonylprop-2-enyl]-(1-oxobut-3-ynyl)amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(4-bromophenyl)-2-methoxycarbonylprop-2-enyl]-but-3-ynoylamino]-3-methylpentanoate Traditional Name: 2-[[(E)-3-(4-bromophenyl)-2-carbomethoxy-allyl]-but-3-ynoyl-amino]-3-methyl-valeric acid methyl ester Formula: C22H26BrNO5 MolecularWeight: 464.34954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)N(CC(=CC1=CC=C(C=C1)Br)C(=O)OC)C(=O)CC#C

Isomeric SMILES

CCC(C)C(C(=O)OC)N(C/C(=C\C1=CC=C(C=C1)Br)/C(=O)OC)C(=O)CC#C

InChI

InChI=1S/C22H26BrNO5/c1-6-8-19(25)24(20(15(3)7-2)22(27)29-5)14-17(21(26)28-4)13-16-9-11-18(23)12-10-16/h1,9-13,15,20H,7-8,14H2,2-5H3/b17-13+