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

Systemtic Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methyl-butyl]amino]-2-oxidanylidene-ethyl]-2-ethoxy-benzoic acid Openeye Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methyl-butyl]amino]-2-oxo-ethyl]-2-ethoxy-benzoic acid CAS Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid IUPAC Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methylbutyl]amino]-2-oxoethyl]-2-ethoxybenzoic acid Traditional Name: 4-[2-[[(1S)-1-(2-aminophenyl)-3-methyl-butyl]amino]-2-keto-ethyl]-2-ethoxy-benzoic acid Formula: C22H28N2O4 MolecularWeight: 384.46872

Click to see the large picture

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)/t19-/m0/s1