3-[(E,3S)-3-[(4-aminophenyl)amino]-5-phenyl-pent-4-enoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[(E,3S)-3-[(4-aminophenyl)amino]-5-phenyl-pent-4-enoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[(E,3S)-3-(4-aminoanilino)-5-phenyl-pent-4-enoyl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[(E,3S)-3-(4-aminoanilino)-1-oxo-5-phenylpent-4-enyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[(E,3S)-3-(4-aminoanilino)-5-phenylpent-4-enoyl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[(E,3S)-3-(4-aminoanilino)-5-phenyl-pent-4-enoyl]-4-keto-1-methyl-quinolin-2-olate Formula: C27H24N3O3- MolecularWeight: 438.49776

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)CC(C=CC3=CC=CC=C3)NC4=CC=C(C=C4)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)C[C@@H](/C=C/C3=CC=CC=C3)NC4=CC=C(C=C4)N

InChI

InChI=1S/C27H25N3O3/c1-30-23-10-6-5-9-22(23)26(32)25(27(30)33)24(31)17-21(14-11-18-7-3-2-4-8-18)29-20-15-12-19(28)13-16-20/h2-16,21,29,33H,17,28H2,1H3/p-1/b14-11+/t21-/m1/s1