ethyl 4-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-4-ylidene]methylamino]benzoate

Systemtic Name: ethyl 4-[[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoquinolin-4-ylidene]methylamino]benzoate Openeye Name: ethyl 4-[(2-benzyl-1,3-dioxo-4-isoquinolylidene)methylamino]benzoate CAS Name: 4-[[1,3-dioxo-2-(phenylmethyl)-4-isoquinolinylidene]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzyl-1,3-dioxoisoquinolin-4-ylidene)methylamino]benzoate Traditional Name: 4-[(2-benzyl-1,3-diketo-4-isoquinolylidene)methylamino]benzoic acid ethyl ester Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4/c1-2-32-26(31)19-12-14-20(15-13-19)27-16-23-21-10-6-7-11-22(21)24(29)28(25(23)30)17-18-8-4-3-5-9-18/h3-16,27H,2,17H2,1H3