[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 2-(4-dimethylaminophenyl)azobenzoate CAS Name: 2-(4-dimethylaminophenyl)azobenzoic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 2-[(4-dimethylaminophenyl)diazenyl]benzoate Traditional Name: 2-(4-dimethylaminophenyl)azobenzoic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2N=NC3=CC=C(C=C3)N(C)C

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)COC(=O)C2=CC=CC=C2N=NC3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C27H30N4O3/c1-20(13-14-21-9-5-4-6-10-21)28-26(32)19-34-27(33)24-11-7-8-12-25(24)30-29-22-15-17-23(18-16-22)31(2)3/h4-12,15-18,20H,13-14,19H2,1-3H3,(H,28,32)/t20-/m1/s1