5-[3-(1-adamantyl)-4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]naphthalene-2-carboxylic acid

Systemtic Name: 5-[3-(1-adamantyl)-4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]naphthalene-2-carboxylic acid Openeye Name: 5-[3-(1-adamantyl)-4-[(2-methoxy-2-oxo-ethyl)carbamoyl]phenyl]naphthalene-2-carboxylic acid CAS Name: 5-[3-(1-adamantyl)-4-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]phenyl]-2-naphthalenecarboxylic acid IUPAC Name: 5-[3-(1-adamantyl)-4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]naphthalene-2-carboxylic acid Traditional Name: 5-[3-(1-adamantyl)-4-[(2-keto-2-methoxy-ethyl)carbamoyl]phenyl]-2-naphthoic acid Formula: C31H31NO5 MolecularWeight: 497.58154

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)C1=C(C=C(C=C1)C2=CC=CC3=C2C=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)CNC(=O)C1=C(C=C(C=C1)C2=CC=CC3=C2C=CC(=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H31NO5/c1-37-28(33)17-32-29(34)26-8-5-22(24-4-2-3-21-12-23(30(35)36)6-7-25(21)24)13-27(26)31-14-18-9-19(15-31)11-20(10-18)16-31/h2-8,12-13,18-20H,9-11,14-17H2,1H3,(H,32,34)(H,35,36)