[2-methoxy-4-[(3R)-3-[(4-methylphenyl)carbonylamino]butyl]phenyl] 4-methylbenzoate

Systemtic Name: [2-methoxy-4-[(3R)-3-[(4-methylphenyl)carbonylamino]butyl]phenyl] 4-methylbenzoate Openeye Name: [2-methoxy-4-[(3R)-3-[(4-methylbenzoyl)amino]butyl]phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [2-methoxy-4-[(3R)-3-[[(4-methylphenyl)-oxomethyl]amino]butyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(3R)-3-[(4-methylbenzoyl)amino]butyl]phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [2-methoxy-4-[(3R)-3-(p-toluoylamino)butyl]phenyl] ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C)CCC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N[C@H](C)CCC2=CC(=C(C=C2)OC(=O)C3=CC=C(C=C3)C)OC

InChI

InChI=1S/C27H29NO4/c1-18-5-12-22(13-6-18)26(29)28-20(3)9-10-21-11-16-24(25(17-21)31-4)32-27(30)23-14-7-19(2)8-15-23/h5-8,11-17,20H,9-10H2,1-4H3,(H,28,29)/t20-/m1/s1