2-[6-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]naphthalen-2-yl]benzoic acid

Systemtic Name: 2-[6-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]naphthalen-2-yl]benzoic acid Openeye Name: 2-[6-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]-2-naphthyl]benzoic acid CAS Name: 2-[6-[[(1-carboxycyclopentyl)methyl-(1-oxobutyl)amino]methyl]-2-naphthalenyl]benzoic acid IUPAC Name: 2-[6-[[butanoyl-[(1-carboxycyclopentyl)methyl]amino]methyl]naphthalen-2-yl]benzoic acid Traditional Name: 2-[6-[[butyryl-[(1-carboxycyclopentyl)methyl]amino]methyl]-2-naphthyl]benzoic acid Formula: C29H31NO5 MolecularWeight: 473.56014

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CC1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

Isomeric SMILES

CCCC(=O)N(CC1=CC2=C(C=C1)C=C(C=C2)C3=CC=CC=C3C(=O)O)CC4(CCCC4)C(=O)O

InChI

InChI=1S/C29H31NO5/c1-2-7-26(31)30(19-29(28(34)35)14-5-6-15-29)18-20-10-11-22-17-23(13-12-21(22)16-20)24-8-3-4-9-25(24)27(32)33/h3-4,8-13,16-17H,2,5-7,14-15,18-19H2,1H3,(H,32,33)(H,34,35)