ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-propan-2-yl-cyclopenten-1-yl)amino]propanoate

Systemtic Name: ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxidanylidene-2-propan-2-yl-cyclopenten-1-yl)amino]propanoate Openeye Name: ethyl 2-[(2-isopropyl-3-oxo-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propanoate CAS Name: 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-propan-2-yl-1-cyclopentenyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-(2,6-naphthyridin-1-ylamino)phenyl]-2-[(3-oxo-2-propan-2-ylcyclopenten-1-yl)amino]propanoate Traditional Name: 2-[(2-isopropyl-3-keto-cyclopenten-1-yl)amino]-3-[4-(2,6-naphthyridin-1-ylamino)phenyl]propionic acid ethyl ester Formula: C27H30N4O3 MolecularWeight: 458.5521

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)NC2=NC=CC3=C2C=CN=C3)NC4=C(C(=O)CC4)C(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)NC2=NC=CC3=C2C=CN=C3)NC4=C(C(=O)CC4)C(C)C

InChI

InChI=1S/C27H30N4O3/c1-4-34-27(33)23(31-22-9-10-24(32)25(22)17(2)3)15-18-5-7-20(8-6-18)30-26-21-12-13-28-16-19(21)11-14-29-26/h5-8,11-14,16-17,23,31H,4,9-10,15H2,1-3H3,(H,29,30)