ethyl (Z)-6-(4-chlorophenyl)-6-(phenylmethoxycarbonylamino)-4-propan-2-yl-hex-4-en-2-ynoate

Systemtic Name: ethyl (Z)-6-(4-chlorophenyl)-6-(phenylmethoxycarbonylamino)-4-propan-2-yl-hex-4-en-2-ynoate Openeye Name: ethyl (Z)-6-(benzyloxycarbonylamino)-6-(4-chlorophenyl)-4-isopropyl-hex-4-en-2-ynoate CAS Name: (Z)-6-(4-chlorophenyl)-6-(phenylmethoxycarbonylamino)-4-propan-2-ylhex-4-en-2-ynoic acid ethyl ester IUPAC Name: ethyl (Z)-6-(4-chlorophenyl)-6-(phenylmethoxycarbonylamino)-4-propan-2-ylhex-4-en-2-ynoate Traditional Name: (Z)-6-(benzyloxycarbonylamino)-6-(4-chlorophenyl)-4-isopropyl-hex-4-en-2-ynoic acid ethyl ester Formula: C25H26ClNO4 MolecularWeight: 439.93124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(=CC(C1=CC=C(C=C1)Cl)NC(=O)OCC2=CC=CC=C2)C(C)C

Isomeric SMILES

CCOC(=O)C#C/C(=C\C(C1=CC=C(C=C1)Cl)NC(=O)OCC2=CC=CC=C2)/C(C)C

InChI

InChI=1S/C25H26ClNO4/c1-4-30-24(28)15-12-21(18(2)3)16-23(20-10-13-22(26)14-11-20)27-25(29)31-17-19-8-6-5-7-9-19/h5-11,13-14,16,18,23H,4,17H2,1-3H3,(H,27,29)/b21-16+