4-[4-(3-azanylpropyl)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid

Systemtic Name: 4-[4-(3-azanylpropyl)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid Openeye Name: 4-[4-(3-aminopropyl)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid CAS Name: 4-[4-(3-aminopropyl)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid IUPAC Name: 4-[4-(3-aminopropyl)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid Traditional Name: 4-[4-(3-aminopropyl)-3-[3-tert-butyl-4-(diethylamino)phenyl]phenyl]benzoic acid Formula: C30H38N2O2 MolecularWeight: 458.63492

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)CCCN)C(C)(C)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC=C(C=C3)C(=O)O)CCCN)C(C)(C)C

InChI

InChI=1S/C30H38N2O2/c1-6-32(7-2)28-17-16-25(20-27(28)30(3,4)5)26-19-24(15-12-22(26)9-8-18-31)21-10-13-23(14-11-21)29(33)34/h10-17,19-20H,6-9,18,31H2,1-5H3,(H,33,34)