3-(3-phenylpropylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(3-phenylpropylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Openeye Name: 3-(3-phenylpropylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione CAS Name: 3-(3-phenylpropylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-(3-phenylpropylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-dione Traditional Name: 3-(3-phenylpropylamino)-4-(2,4,5-trimethylphenyl)cyclobut-3-ene-1,2-quinone Formula: C22H23NO2 MolecularWeight: 333.42352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)NCCCC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C2=C(C(=O)C2=O)NCCCC3=CC=CC=C3)C)C

InChI

InChI=1S/C22H23NO2/c1-14-12-16(3)18(13-15(14)2)19-20(22(25)21(19)24)23-11-7-10-17-8-5-4-6-9-17/h4-6,8-9,12-13,23H,7,10-11H2,1-3H3