ethyl 4-bromanyl-2-[(diphenylmethylidene)amino]-2-[(E)-3-phenylprop-2-enyl]pent-4-enoate

Systemtic Name: ethyl 4-bromanyl-2-[(diphenylmethylidene)amino]-2-[(E)-3-phenylprop-2-enyl]pent-4-enoate Openeye Name: ethyl 2-(benzhydrylideneamino)-4-bromo-2-[(E)-cinnamyl]pent-4-enoate CAS Name: 4-bromo-2-[(diphenylmethylene)amino]-2-[(E)-3-phenylprop-2-enyl]-4-pentenoic acid ethyl ester IUPAC Name: ethyl 2-(benzhydrylideneamino)-4-bromo-2-[(E)-3-phenylprop-2-enyl]pent-4-enoate Traditional Name: 2-(benzhydrylideneamino)-4-bromo-2-[(E)-cinnamyl]pent-4-enoic acid ethyl ester Formula: C29H28BrNO2 MolecularWeight: 502.44212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=CC1=CC=CC=C1)(CC(=C)Br)N=C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C/C=C/C1=CC=CC=C1)(CC(=C)Br)N=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H28BrNO2/c1-3-33-28(32)29(22-23(2)30,21-13-16-24-14-7-4-8-15-24)31-27(25-17-9-5-10-18-25)26-19-11-6-12-20-26/h4-20H,2-3,21-22H2,1H3/b16-13+