N-methylmethanamine; [4-[(E)-2-phenylethenyl]phenyl] 4-dodecoxybenzoate

Systemtic Name: N-methylmethanamine; [4-[(E)-2-phenylethenyl]phenyl] 4-dodecoxybenzoate Openeye Name: N-methylmethanamine; [4-[(E)-styryl]phenyl] 4-dodecoxybenzoate CAS Name: 4-dodecoxybenzoic acid [4-[(E)-2-phenylethenyl]phenyl] ester; N-methylmethanamine IUPAC Name: N-methylmethanamine; [4-[(E)-2-phenylethenyl]phenyl] 4-dodecoxybenzoate Traditional Name: dimethylamine; 4-lauryloxybenzoic acid [4-[(E)-styryl]phenyl] ester Formula: C35H47NO3 MolecularWeight: 529.75258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CC3=CC=CC=C3.CNC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/C3=CC=CC=C3.CNC

InChI

InChI=1S/C33H40O3.C2H7N/c1-2-3-4-5-6-7-8-9-10-14-27-35-31-25-21-30(22-26-31)33(34)36-32-23-19-29(20-24-32)18-17-28-15-12-11-13-16-28;1-3-2/h11-13,15-26H,2-10,14,27H2,1H3;3H,1-2H3/b18-17+;