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

Systemtic Name: hexyl 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carboxylate hydrate Openeye Name: hexyl 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 hexyl ester hydrate IUPAC Name: hexyl 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 hexyl ester hydrate Formula: C28H26N2O5 MolecularWeight: 470.51644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H24N2O4.H2O/c1-2-3-4-7-16-34-28(33)23-22-17-19(18-10-13-29-14-11-18)12-15-30(22)25-24(23)26(31)20-8-5-6-9-21(20)27(25)32;/h5-6,8-15,17H,2-4,7,16H2,1H3;1H2