[4-[(4-ethynylphenyl)methylideneamino]phenyl] 4-octoxybenzoate

Systemtic Name: [4-[(4-ethynylphenyl)methylideneamino]phenyl] 4-octoxybenzoate Openeye Name: [4-[(4-ethynylphenyl)methyleneamino]phenyl] 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid [4-[(4-ethynylphenyl)methylideneamino]phenyl] ester IUPAC Name: [4-[(4-ethynylphenyl)methylideneamino]phenyl] 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid [4-[(4-ethynylbenzylidene)amino]phenyl] ester Formula: C30H31NO3 MolecularWeight: 453.57204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N=CC3=CC=C(C=C3)C#C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)N=CC3=CC=C(C=C3)C#C

InChI

InChI=1S/C30H31NO3/c1-3-5-6-7-8-9-22-33-28-18-14-26(15-19-28)30(32)34-29-20-16-27(17-21-29)31-23-25-12-10-24(4-2)11-13-25/h2,10-21,23H,3,5-9,22H2,1H3