methyl (2S)-2-azanyl-5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]pentanoate Openeye Name: methyl (2S)-2-amino-5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentanoate CAS Name: (2S)-2-amino-5-(1,3-dioxo-2-benzo[de]isoquinolinyl)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(1,3-dioxobenzo[de]isoquinolin-2-yl)pentanoate Traditional Name: (2S)-2-amino-5-(1,3-diketobenzo[de]isoquinolin-2-yl)valeric acid methyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)N

Isomeric SMILES

COC(=O)[C@H](CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)N

InChI

InChI=1S/C18H18N2O4/c1-24-18(23)14(19)9-4-10-20-16(21)12-7-2-5-11-6-3-8-13(15(11)12)17(20)22/h2-3,5-8,14H,4,9-10,19H2,1H3/t14-/m0/s1