diethyl (E)-2-[(9-butylacridin-3-yl)amino]but-2-enedioate

Systemtic Name: diethyl (E)-2-[(9-butylacridin-3-yl)amino]but-2-enedioate Openeye Name: diethyl (E)-2-[(9-butylacridin-3-yl)amino]but-2-enedioate CAS Name: (E)-2-[(9-butyl-3-acridinyl)amino]-2-butenedioic acid diethyl ester IUPAC Name: diethyl (E)-2-[(9-butylacridin-3-yl)amino]but-2-enedioate Traditional Name: (E)-2-[(9-butylacridin-3-yl)amino]but-2-enedioic acid diethyl ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C=CC(=CC2=NC3=CC=CC=C31)NC(=CC(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCCC1=C2C=CC(=CC2=NC3=CC=CC=C31)N/C(=C/C(=O)OCC)/C(=O)OCC

InChI

InChI=1S/C25H28N2O4/c1-4-7-10-18-19-11-8-9-12-21(19)27-22-15-17(13-14-20(18)22)26-23(25(29)31-6-3)16-24(28)30-5-2/h8-9,11-16,26H,4-7,10H2,1-3H3/b23-16+