prop-2-ynyl (Z)-2-[(4-bromophenyl)carbonylamino]-3-(4-propan-2-yloxyphenyl)prop-2-enoate

Systemtic Name: prop-2-ynyl (Z)-2-[(4-bromophenyl)carbonylamino]-3-(4-propan-2-yloxyphenyl)prop-2-enoate Openeye Name: prop-2-ynyl (Z)-2-[(4-bromobenzoyl)amino]-3-(4-isopropoxyphenyl)prop-2-enoate CAS Name: (Z)-2-[[(4-bromophenyl)-oxomethyl]amino]-3-(4-propan-2-yloxyphenyl)-2-propenoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl (Z)-2-[(4-bromobenzoyl)amino]-3-(4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (Z)-2-[(4-bromobenzoyl)amino]-3-(4-isopropoxyphenyl)acrylic acid propargyl ester Formula: C22H20BrNO4 MolecularWeight: 442.3025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C(=O)OCC#C)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C(/C(=O)OCC#C)\NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H20BrNO4/c1-4-13-27-22(26)20(24-21(25)17-7-9-18(23)10-8-17)14-16-5-11-19(12-6-16)28-15(2)3/h1,5-12,14-15H,13H2,2-3H3,(H,24,25)/b20-14-