4-[2-[[(1S)-1-(2-aminophenyl)-3-methyl-butyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoate

Systemtic Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methyl-butyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoate Openeye Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methyl-butyl]amino]-2-oxo-ethyl]-2-ethoxy-benzoate CAS Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoate IUPAC Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoate Traditional Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methyl-butyl]amino]-2-keto-ethyl]-2-ethoxy-benzoate Formula: C22H27N2O4- MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N)C(=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)CC(=O)N[C@@H](CC(C)C)C2=CC=CC=C2N)C(=O)[O-]

InChI

InChI=1S/C22H28N2O4/c1-4-28-20-12-15(9-10-17(20)22(26)27)13-21(25)24-19(11-14(2)3)16-7-5-6-8-18(16)23/h5-10,12,14,19H,4,11,13,23H2,1-3H3,(H,24,25)(H,26,27)/p-1/t19-/m0/s1