3-[4-azanyl-3-(2-carboxyethyl)naphthalen-2-yl]carbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid

Systemtic Name: 3-[4-azanyl-3-(2-carboxyethyl)naphthalen-2-yl]carbonyl-1,2,2-trimethyl-cyclopentane-1-carboxylic acid Openeye Name: 3-[4-amino-3-(2-carboxyethyl)naphthalene-2-carbonyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid CAS Name: 3-[[4-amino-3-(2-carboxyethyl)-2-naphthalenyl]-oxomethyl]-1,2,2-trimethyl-1-cyclopentanecarboxylic acid IUPAC Name: 3-[4-amino-3-(2-carboxyethyl)naphthalene-2-carbonyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid Traditional Name: 3-[4-amino-3-(2-carboxyethyl)-2-naphthoyl]-1,2,2-trimethyl-cyclopentanecarboxylic acid Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(CCC1(C)C(=O)O)C(=O)C2=CC3=CC=CC=C3C(=C2CCC(=O)O)N)C

Isomeric SMILES

CC1(C(CCC1(C)C(=O)O)C(=O)C2=CC3=CC=CC=C3C(=C2CCC(=O)O)N)C

InChI

InChI=1S/C23H27NO5/c1-22(2)17(10-11-23(22,3)21(28)29)20(27)16-12-13-6-4-5-7-14(13)19(24)15(16)8-9-18(25)26/h4-7,12,17H,8-11,24H2,1-3H3,(H,25,26)(H,28,29)