3-azanyl-5-[4-(4-heptoxyphenyl)phenyl]pentanoic acid

Systemtic Name: 3-azanyl-5-[4-(4-heptoxyphenyl)phenyl]pentanoic acid Openeye Name: 3-amino-5-[4-(4-heptoxyphenyl)phenyl]pentanoic acid CAS Name: 3-amino-5-[4-(4-heptoxyphenyl)phenyl]pentanoic acid IUPAC Name: 3-amino-5-[4-(4-heptoxyphenyl)phenyl]pentanoic acid Traditional Name: 3-amino-5-[4-(4-heptoxyphenyl)phenyl]valeric acid Formula: C24H33NO3 MolecularWeight: 383.52372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC(=O)O)N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC(=O)O)N

InChI

InChI=1S/C24H33NO3/c1-2-3-4-5-6-17-28-23-15-12-21(13-16-23)20-10-7-19(8-11-20)9-14-22(25)18-24(26)27/h7-8,10-13,15-16,22H,2-6,9,14,17-18,25H2,1H3,(H,26,27)