[4-[[4-(cyanomethyl)phenyl]iminomethyl]phenyl] 4-pentoxybenzoate

Systemtic Name: [4-[[4-(cyanomethyl)phenyl]iminomethyl]phenyl] 4-pentoxybenzoate Openeye Name: [4-[[4-(cyanomethyl)phenyl]iminomethyl]phenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [4-[[4-(cyanomethyl)phenyl]iminomethyl]phenyl] ester IUPAC Name: [4-[[4-(cyanomethyl)phenyl]iminomethyl]phenyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-[[4-(cyanomethyl)phenyl]iminomethyl]phenyl] ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CC#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C27H26N2O3/c1-2-3-4-19-31-25-15-9-23(10-16-25)27(30)32-26-13-7-22(8-14-26)20-29-24-11-5-21(6-12-24)17-18-28/h5-16,20H,2-4,17,19H2,1H3