(3S)-3-[(4-bromophenyl)amino]-3-(4-butoxyphenyl)-1-(4-methoxyphenyl)propan-1-one

Systemtic Name: (3S)-3-[(4-bromophenyl)amino]-3-(4-butoxyphenyl)-1-(4-methoxyphenyl)propan-1-one Openeye Name: (3S)-3-(4-bromoanilino)-3-(4-butoxyphenyl)-1-(4-methoxyphenyl)propan-1-one CAS Name: (3S)-3-(4-bromoanilino)-3-(4-butoxyphenyl)-1-(4-methoxyphenyl)-1-propanone IUPAC Name: (3S)-3-(4-bromoanilino)-3-(4-butoxyphenyl)-1-(4-methoxyphenyl)propan-1-one Traditional Name: (3S)-3-(4-bromoanilino)-3-(4-butoxyphenyl)-1-(4-methoxyphenyl)propan-1-one Formula: C26H28BrNO3 MolecularWeight: 482.40942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCOC1=CC=C(C=C1)[C@H](CC(=O)C2=CC=C(C=C2)OC)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C26H28BrNO3/c1-3-4-17-31-24-15-5-19(6-16-24)25(28-22-11-9-21(27)10-12-22)18-26(29)20-7-13-23(30-2)14-8-20/h5-16,25,28H,3-4,17-18H2,1-2H3/t25-/m0/s1