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

Systemtic Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 4-azanylbenzoate Openeye Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-oxo-ethyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid [2-[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]-2-keto-ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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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=C(C=C2)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3/c1-4-15-5-7-16(8-6-15)20(14(2)3)23-19(24)13-26-21(25)17-9-11-18(22)12-10-17/h5-12,14,20H,4,13,22H2,1-3H3,(H,23,24)/t20-/m0/s1