4-oxidanylidene-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-8-prop-2-enyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-8-prop-2-enyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid Openeye Name: 8-allyl-3-[allyl(benzyloxycarbonyl)amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid CAS Name: 4-oxo-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-8-prop-2-enyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid IUPAC Name: 4-oxo-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-8-prop-2-enyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid Traditional Name: 8-allyl-3-[allyl(carbobenzoxy)amino]-4-keto-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxylic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C=CCC1CC(N2C1=NC=C(C2=O)N(CC=C)C(=O)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H23N3O5/c1-3-8-16-12-17(21(27)28)25-19(16)23-13-18(20(25)26)24(11-4-2)22(29)30-14-15-9-6-5-7-10-15/h3-7,9-10,13,16-17H,1-2,8,11-12,14H2,(H,27,28)