4-[1-(5,5,8-trimethyl-3-phenylmethoxy-6H-naphthalen-2-yl)ethylamino]benzoic acid

Systemtic Name: 4-[1-(5,5,8-trimethyl-3-phenylmethoxy-6H-naphthalen-2-yl)ethylamino]benzoic acid Openeye Name: 4-[1-(3-benzyloxy-5,5,8-trimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid CAS Name: 4-[1-(5,5,8-trimethyl-3-phenylmethoxy-6H-naphthalen-2-yl)ethylamino]benzoic acid IUPAC Name: 4-[1-(5,5,8-trimethyl-3-phenylmethoxy-6H-naphthalen-2-yl)ethylamino]benzoic acid Traditional Name: 4-[1-(3-benzoxy-5,5,8-trimethyl-6H-naphthalen-2-yl)ethylamino]benzoic acid Formula: C29H31NO3 MolecularWeight: 441.56134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C2=CC(=C(C=C12)C(C)NC3=CC=C(C=C3)C(=O)O)OCC4=CC=CC=C4)(C)C

Isomeric SMILES

CC1=CCC(C2=CC(=C(C=C12)C(C)NC3=CC=C(C=C3)C(=O)O)OCC4=CC=CC=C4)(C)C

InChI

InChI=1S/C29H31NO3/c1-19-14-15-29(3,4)26-17-27(33-18-21-8-6-5-7-9-21)25(16-24(19)26)20(2)30-23-12-10-22(11-13-23)28(31)32/h5-14,16-17,20,30H,15,18H2,1-4H3,(H,31,32)