4-[ethyl-(3-methoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)amino]benzoic acid

Systemtic Name: 4-[ethyl-(3-methoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)amino]benzoic acid Openeye Name: 4-[ethyl-(8-isopropyl-3-methoxy-5,5-dimethyl-6H-naphthalen-2-yl)amino]benzoic acid CAS Name: 4-[ethyl-(3-methoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)amino]benzoic acid IUPAC Name: 4-[ethyl-(3-methoxy-5,5-dimethyl-8-propan-2-yl-6H-naphthalen-2-yl)amino]benzoic acid Traditional Name: 4-[ethyl-(8-isopropyl-3-methoxy-5,5-dimethyl-6H-naphthalen-2-yl)amino]benzoic acid Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C=C3C(=C2)C(=CCC3(C)C)C(C)C)OC

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C2=C(C=C3C(=C2)C(=CCC3(C)C)C(C)C)OC

InChI

InChI=1S/C25H31NO3/c1-7-26(18-10-8-17(9-11-18)24(27)28)22-14-20-19(16(2)3)12-13-25(4,5)21(20)15-23(22)29-6/h8-12,14-16H,7,13H2,1-6H3,(H,27,28)