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

Systemtic Name: (phenylmethyl) 5-[3-(1-adamantyl)-4-[(2-methoxy-2-oxidanylidene-ethyl)carbamoyl]phenyl]naphthalene-2-carboxylate Openeye Name: benzyl 5-[3-(1-adamantyl)-4-[(2-methoxy-2-oxo-ethyl)carbamoyl]phenyl]naphthalene-2-carboxylate CAS Name: 5-[3-(1-adamantyl)-4-[[(2-methoxy-2-oxoethyl)amino]-oxomethyl]phenyl]-2-naphthalenecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[3-(1-adamantyl)-4-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]naphthalene-2-carboxylate Traditional Name: 5-[3-(1-adamantyl)-4-[(2-keto-2-methoxy-ethyl)carbamoyl]phenyl]naphthalene-2-carboxylic acid benzyl ester Formula: C38H37NO5 MolecularWeight: 587.70408

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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)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

COC(=O)CNC(=O)C1=C(C=C(C=C1)C2=CC=CC3=C2C=CC(=C3)C(=O)OCC4=CC=CC=C4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C38H37NO5/c1-43-35(40)22-39-36(41)33-13-10-29(18-34(33)38-19-25-14-26(20-38)16-27(15-25)21-38)31-9-5-8-28-17-30(11-12-32(28)31)37(42)44-23-24-6-3-2-4-7-24/h2-13,17-18,25-27H,14-16,19-23H2,1H3,(H,39,41)