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

Systemtic Name: (phenylmethyl) 6,11-bis(oxidanylidene)-2-pyridin-4-yl-naphtho[2,3-b]indolizine-12-carboxylate hydrate Openeye Name: benzyl 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 (phenylmethyl) ester hydrate IUPAC Name: benzyl 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 benzyl ester hydrate Formula: C29H20N2O5 MolecularWeight: 476.4795

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C3C=C(C=CN3C4=C2C(=O)C5=CC=CC=C5C4=O)C6=CC=NC=C6.O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C3C=C(C=CN3C4=C2C(=O)C5=CC=CC=C5C4=O)C6=CC=NC=C6.O

InChI

InChI=1S/C29H18N2O4.H2O/c32-27-21-8-4-5-9-22(21)28(33)26-25(27)24(29(34)35-17-18-6-2-1-3-7-18)23-16-20(12-15-31(23)26)19-10-13-30-14-11-19;/h1-16H,17H2;1H2