(2S)-2-[(2-bromanyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoate

Systemtic Name: (2S)-2-[(2-bromanyl-3-oxidanylidene-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoate Openeye Name: (2S)-2-[(2-bromo-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoate CAS Name: (2S)-2-[(2-bromo-3-oxo-1-spiro[3.5]non-1-enyl)amino]-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoate IUPAC Name: (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propanoate Traditional Name: (2S)-2-[(2-bromo-3-keto-spiro[3.5]non-1-en-1-yl)amino]-3-[4-[(3-methyl-2,7-naphthyridin-1-yl)oxy]phenyl]propionate Formula: C27H25BrN3O4- MolecularWeight: 535.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=NC=CC2=C1)OC3=CC=C(C=C3)CC(C(=O)[O-])NC4=C(C(=O)C45CCCCC5)Br

Isomeric SMILES

CC1=NC(=C2C=NC=CC2=C1)OC3=CC=C(C=C3)C[C@@H](C(=O)[O-])NC4=C(C(=O)C45CCCCC5)Br

InChI

InChI=1S/C27H26BrN3O4/c1-16-13-18-9-12-29-15-20(18)25(30-16)35-19-7-5-17(6-8-19)14-21(26(33)34)31-23-22(28)24(32)27(23)10-3-2-4-11-27/h5-9,12-13,15,21,31H,2-4,10-11,14H2,1H3,(H,33,34)/p-1/t21-/m0/s1