3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3Z)-4-oxidanylidene-3-(1H-quinolin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3Z)-4-oxidanylidene-3-(1H-quinolin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3Z)-4-oxo-3-(1H-quinolin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione CAS Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3Z)-4-oxo-3-(1H-quinolin-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3Z)-4-oxo-3-(1H-quinolin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-dione Traditional Name: 3-[[(1S)-1-(3-hydroxyphenyl)ethyl]amino]-4-[[(3Z)-4-keto-3-(1H-quinolin-2-ylidene)cyclohexa-1,5-dien-1-yl]amino]cyclobut-3-ene-1,2-quinone Formula: C27H21N3O4 MolecularWeight: 451.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=CC(=C4C=CC5=CC=CC=C5N4)C(=O)C=C3

Isomeric SMILES

C[C@@H](C1=CC(=CC=C1)O)NC2=C(C(=O)C2=O)NC3=C/C(=C/4\C=CC5=CC=CC=C5N4)/C(=O)C=C3

InChI

InChI=1S/C27H21N3O4/c1-15(17-6-4-7-19(31)13-17)28-24-25(27(34)26(24)33)29-18-10-12-23(32)20(14-18)22-11-9-16-5-2-3-8-21(16)30-22/h2-15,28-31H,1H3/b22-20-/t15-/m0/s1