3-(3,4-dimethylphenyl)-5-naphthalen-2-yl-azepan-2-one; 2-pent-4-enoxypropanoic acid

Systemtic Name: 3-(3,4-dimethylphenyl)-5-naphthalen-2-yl-azepan-2-one; 2-pent-4-enoxypropanoic acid Openeye Name: 3-(3,4-dimethylphenyl)-5-(2-naphthyl)azepan-2-one; 2-pent-4-enoxypropanoic acid CAS Name: 3-(3,4-dimethylphenyl)-5-(2-naphthalenyl)-2-azepanone; 2-pent-4-enoxypropanoic acid IUPAC Name: 3-(3,4-dimethylphenyl)-5-naphthalen-2-ylazepan-2-one; 2-pent-4-enoxypropanoic acid Traditional Name: 3-(3,4-dimethylphenyl)-5-(2-naphthyl)azepan-2-one; 2-pent-4-enoxypropionic acid Formula: C32H39NO4 MolecularWeight: 501.65636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2CC(CCNC2=O)C3=CC4=CC=CC=C4C=C3)C.CC(C(=O)O)OCCCC=C

Isomeric SMILES

CC1=C(C=C(C=C1)C2CC(CCNC2=O)C3=CC4=CC=CC=C4C=C3)C.CC(C(=O)O)OCCCC=C

InChI

InChI=1S/C24H25NO.C8H14O3/c1-16-7-8-22(13-17(16)2)23-15-21(11-12-25-24(23)26)20-10-9-18-5-3-4-6-19(18)14-20;1-3-4-5-6-11-7(2)8(9)10/h3-10,13-14,21,23H,11-12,15H2,1-2H3,(H,25,26);3,7H,1,4-6H2,2H3,(H,9,10)