ethyl 3-[2-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-prop-2-enyl-cyclopenten-1-yl)amino]propanoate

Systemtic Name: ethyl 3-[2-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-prop-2-enyl-cyclopenten-1-yl)amino]propanoate Openeye Name: ethyl 2-[(2-allyl-3-oxo-cyclopenten-1-yl)amino]-3-[2-(2,6-naphthyridin-1-ylamino)phenyl]propanoate CAS Name: 3-[2-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-prop-2-enyl-1-cyclopentenyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-prop-2-enylcyclopenten-1-yl)amino]propanoate Traditional Name: 2-[(2-allyl-3-keto-cyclopenten-1-yl)amino]-3-[2-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid ethyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1NC2=NC=CC3=C2C=CN=C3)NC4=C(C(=O)CC4)CC=C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1NC2=NC=CC3=C2C=CN=C3)NC4=C(C(=O)CC4)CC=C

InChI

InChI=1S/C27H28N4O3/c1-3-7-21-23(10-11-25(21)32)30-24(27(33)34-4-2)16-18-8-5-6-9-22(18)31-26-20-13-14-28-17-19(20)12-15-29-26/h3,5-6,8-9,12-15,17,24,30H,1,4,7,10-11,16H2,2H3,(H,29,31)