methyl 3-(2,6-dimethylheptan-4-ylamino)-2-methyl-benzoate

Systemtic Name: methyl 3-(2,6-dimethylheptan-4-ylamino)-2-methyl-benzoate Openeye Name: methyl 3-[(1-isobutyl-3-methyl-butyl)amino]-2-methyl-benzoate CAS Name: 3-(2,6-dimethylheptan-4-ylamino)-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-(2,6-dimethylheptan-4-ylamino)-2-methylbenzoate Traditional Name: 3-[(1-isobutyl-3-methyl-butyl)amino]-2-methyl-benzoic acid methyl ester Formula: C18H29NO2 MolecularWeight: 291.42836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(CC(C)C)CC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NC(CC(C)C)CC(C)C)C(=O)OC

InChI

InChI=1S/C18H29NO2/c1-12(2)10-15(11-13(3)4)19-17-9-7-8-16(14(17)5)18(20)21-6/h7-9,12-13,15,19H,10-11H2,1-6H3