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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NC(CC(C)C)CC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NC(CC(C)C)CC(C)C

InChI

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