methyl 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoate Openeye Name: methyl 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoate CAS Name: 4-[[2-(1-cyclohexa-1,5-dienyl)ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoate Traditional Name: 4-[(2-cyclohexa-1,5-dien-1-ylethylamino)methyl]benzoic acid methyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCC2=CCCC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCCC2=CCCC=C2

InChI

InChI=1S/C17H21NO2/c1-20-17(19)16-9-7-15(8-10-16)13-18-12-11-14-5-3-2-4-6-14/h3,5-10,18H,2,4,11-13H2,1H3