[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C22H21NO5/c24-19-13-18(21(26)17-11-5-4-10-16(17)19)22(27)28-14-20(25)23-12-6-9-15-7-2-1-3-8-15/h1-5,7-8,10-11,13,24,26H,6,9,12,14H2,(H,23,25)