[2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylbenzoate

Systemtic Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 3-oxidanylbenzoate Openeye Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)O

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NC(=O)COC(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C21H25NO4/c1-4-15-8-10-16(11-9-15)20(14(2)3)22-19(24)13-26-21(25)17-6-5-7-18(23)12-17/h5-12,14,20,23H,4,13H2,1-3H3,(H,22,24)/t20-/m0/s1