3-[5-azanyl-4-(2-methylpropoxy)-5-naphthalen-2-yl-cyclohexa-1,3-dien-1-yl]propanoic acid

Systemtic Name: 3-[5-azanyl-4-(2-methylpropoxy)-5-naphthalen-2-yl-cyclohexa-1,3-dien-1-yl]propanoic acid Openeye Name: 3-[5-amino-4-isobutoxy-5-(2-naphthyl)cyclohexa-1,3-dien-1-yl]propanoic acid CAS Name: 3-[5-amino-4-(2-methylpropoxy)-5-(2-naphthalenyl)-1-cyclohexa-1,3-dienyl]propanoic acid IUPAC Name: 3-[5-amino-4-(2-methylpropoxy)-5-naphthalen-2-ylcyclohexa-1,3-dien-1-yl]propanoic acid Traditional Name: 3-[5-amino-4-isobutoxy-5-(2-naphthyl)cyclohexa-1,3-dien-1-yl]propionic acid Formula: C23H27NO3 MolecularWeight: 365.46538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(CC1(C2=CC3=CC=CC=C3C=C2)N)CCC(=O)O

Isomeric SMILES

CC(C)COC1=CC=C(CC1(C2=CC3=CC=CC=C3C=C2)N)CCC(=O)O

InChI

InChI=1S/C23H27NO3/c1-16(2)15-27-21-11-7-17(8-12-22(25)26)14-23(21,24)20-10-9-18-5-3-4-6-19(18)13-20/h3-7,9-11,13,16H,8,12,14-15,24H2,1-2H3,(H,25,26)