methyl 2-[[3-(4-methyl-4-oxidanyl-pentyl)cyclohex-3-en-1-yl]methylideneamino]benzoate

Systemtic Name: methyl 2-[[3-(4-methyl-4-oxidanyl-pentyl)cyclohex-3-en-1-yl]methylideneamino]benzoate Openeye Name: methyl 2-[[3-(4-hydroxy-4-methyl-pentyl)cyclohex-3-en-1-yl]methyleneamino]benzoate CAS Name: 2-[[3-(4-hydroxy-4-methylpentyl)-1-cyclohex-3-enyl]methylideneamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(4-hydroxy-4-methylpentyl)cyclohex-3-en-1-yl]methylideneamino]benzoate Traditional Name: 2-[[3-(4-hydroxy-4-methyl-pentyl)cyclohex-3-en-1-yl]methyleneamino]benzoic acid methyl ester Formula: C21H29NO3 MolecularWeight: 343.45986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CCCC(C1)C=NC2=CC=CC=C2C(=O)OC)O

Isomeric SMILES

CC(C)(CCCC1=CCCC(C1)C=NC2=CC=CC=C2C(=O)OC)O

InChI

InChI=1S/C21H29NO3/c1-21(2,24)13-7-10-16-8-6-9-17(14-16)15-22-19-12-5-4-11-18(19)20(23)25-3/h4-5,8,11-12,15,17,24H,6-7,9-10,13-14H2,1-3H3