2-acetyloxybenzoic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine

Systemtic Name: 2-acetyloxybenzoic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine Openeye Name: 2-acetoxybenzoic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine CAS Name: 2-acetyloxybenzoic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine IUPAC Name: 2-acetyloxybenzoic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine Traditional Name: 2-acetoxybenzoic acid; 2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-amine Formula: C35H37NO5 MolecularWeight: 551.67198

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C26H29NO.C9H8O4/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h5-18H,4,19-20H2,1-3H3;2-5H,1H3,(H,11,12)/b26-25-;