butyl 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carboxylate hydrate

Systemtic Name: butyl 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carboxylate hydrate Openeye Name: butyl 6,11-dioxo-2-(4-pyridyl)naphtho[2,3-b]indolizine-12-carboxylate hydrate CAS Name: 6,11-dioxo-2-pyridin-4-yl-12-naphtho[2,3-b]indolizinecarboxylic acid butyl ester hydrate IUPAC Name: butyl 6,11-dioxo-2-pyridin-4-ylnaphtho[2,3-b]indolizine-12-carboxylate hydrate Traditional Name: 6,11-diketo-2-(4-pyridyl)naphth[2,3-b]indolizine-12-carboxylic acid butyl ester hydrate Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5.O

Isomeric SMILES

CCCCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=CC=CC=C4C3=O)C5=CC=NC=C5.O

InChI

InChI=1S/C26H20N2O4.H2O/c1-2-3-14-32-26(31)21-20-15-17(16-8-11-27-12-9-16)10-13-28(20)23-22(21)24(29)18-6-4-5-7-19(18)25(23)30;/h4-13,15H,2-3,14H2,1H3;1H2