[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)COC(=O)C3=C(C4=CC=CC=C4C(=C3)O)O

InChI

InChI=1S/C23H22N2O5/c26-20-13-19(22(28)18-6-2-1-5-17(18)20)23(29)30-14-21(27)24-15-7-9-16(10-8-15)25-11-3-4-12-25/h1-2,5-10,13,26,28H,3-4,11-12,14H2,(H,24,27)