3-[7-[(2-carboxycyclohexyl)carbamoyl]-6-oxidanylidene-quinolizin-3-yl]oxypropylcarbamoylboron

Systemtic Name: 3-[7-[(2-carboxycyclohexyl)carbamoyl]-6-oxidanylidene-quinolizin-3-yl]oxypropylcarbamoylboron Openeye Name: 3-[7-[(2-carboxycyclohexyl)carbamoyl]-6-oxo-quinolizin-3-yl]oxypropylcarbamoylboron CAS Name: [[3-[[7-[[(2-carboxycyclohexyl)amino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]propylamino]-oxomethyl]boron IUPAC Name: 3-[7-[(2-carboxycyclohexyl)carbamoyl]-6-oxoquinolizin-3-yl]oxypropylcarbamoylboron Traditional Name: 3-[7-[(2-carboxycyclohexyl)carbamoyl]-6-keto-quinolizin-3-yl]oxypropylcarbamoylboron Formula: C21H24BN3O6 MolecularWeight: 425.24276

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NCCCOC1=CN2C(=CC=C(C2=O)C(=O)NC3CCCCC3C(=O)O)C=C1

Isomeric SMILES

[B]C(=O)NCCCOC1=CN2C(=CC=C(C2=O)C(=O)NC3CCCCC3C(=O)O)C=C1

InChI

InChI=1S/C21H24BN3O6/c22-21(30)23-10-3-11-31-14-8-6-13-7-9-16(19(27)25(13)12-14)18(26)24-17-5-2-1-4-15(17)20(28)29/h6-9,12,15,17H,1-5,10-11H2,(H,23,30)(H,24,26)(H,28,29)