methyl 5-azanyl-2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentoxy]benzoate

Systemtic Name: methyl 5-azanyl-2-[5-[1,3-bis(oxidanylidene)isoindol-2-yl]pentoxy]benzoate Openeye Name: methyl 5-amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentoxy]benzoate CAS Name: 5-amino-2-[5-(1,3-dioxo-2-isoindolyl)pentoxy]benzoic acid methyl ester IUPAC Name: methyl 5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]benzoate Traditional Name: 5-amino-2-(5-phthalimidopentoxy)benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)N)OCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O5/c1-27-21(26)17-13-14(22)9-10-18(17)28-12-6-2-5-11-23-19(24)15-7-3-4-8-16(15)20(23)25/h3-4,7-10,13H,2,5-6,11-12,22H2,1H3