ethyl 3-(4-methoxyphenyl)-7-(4-phenylphenyl)carbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate hydrate

Systemtic Name: ethyl 3-(4-methoxyphenyl)-7-(4-phenylphenyl)carbonyl-pyrrolo[1,2-c]pyrimidine-5-carboxylate hydrate Openeye Name: ethyl 3-(4-methoxyphenyl)-7-(4-phenylbenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate hydrate CAS Name: 3-(4-methoxyphenyl)-7-[oxo-(4-phenylphenyl)methyl]-5-pyrrolo[1,2-c]pyrimidinecarboxylic acid ethyl ester hydrate IUPAC Name: ethyl 3-(4-methoxyphenyl)-7-(4-phenylbenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate hydrate Traditional Name: 3-(4-methoxyphenyl)-7-(4-phenylbenzoyl)pyrrolo[1,2-c]pyrimidine-5-carboxylic acid ethyl ester hydrate Formula: C30H26N2O5 MolecularWeight: 494.53784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC.O

Isomeric SMILES

CCOC(=O)C1=C2C=C(N=CN2C(=C1)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC.O

InChI

InChI=1S/C30H24N2O4.H2O/c1-3-36-30(34)25-17-28(29(33)23-11-9-21(10-12-23)20-7-5-4-6-8-20)32-19-31-26(18-27(25)32)22-13-15-24(35-2)16-14-22;/h4-19H,3H2,1-2H3;1H2