ethyl 2-butyl-4-(diethylaminomethyl)-3-hex-1-ynyl-6-phenyl-benzoate

Systemtic Name: ethyl 2-butyl-4-(diethylaminomethyl)-3-hex-1-ynyl-6-phenyl-benzoate Openeye Name: ethyl 2-butyl-4-(diethylaminomethyl)-3-hex-1-ynyl-6-phenyl-benzoate CAS Name: 2-butyl-4-(diethylaminomethyl)-3-hex-1-ynyl-6-phenylbenzoic acid ethyl ester IUPAC Name: ethyl 2-butyl-4-(diethylaminomethyl)-3-hex-1-ynyl-6-phenylbenzoate Traditional Name: 2-butyl-4-(diethylaminomethyl)-3-hex-1-ynyl-6-phenyl-benzoic acid ethyl ester Formula: C30H41NO2 MolecularWeight: 447.65204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=C(C=C(C(=C1CCCC)C(=O)OCC)C2=CC=CC=C2)CN(CC)CC

Isomeric SMILES

CCCCC#CC1=C(C=C(C(=C1CCCC)C(=O)OCC)C2=CC=CC=C2)CN(CC)CC

InChI

InChI=1S/C30H41NO2/c1-6-11-13-17-21-26-25(23-31(8-3)9-4)22-28(24-18-15-14-16-19-24)29(30(32)33-10-5)27(26)20-12-7-2/h14-16,18-19,22H,6-13,20,23H2,1-5H3