4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 4-phthalimidobutyl ester Formula: C20H19ClN2O5 MolecularWeight: 402.82826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)Cl)N

InChI

InChI=1S/C20H19ClN2O5/c1-27-17-11-16(22)15(21)10-14(17)20(26)28-9-5-4-8-23-18(24)12-6-2-3-7-13(12)19(23)25/h2-3,6-7,10-11H,4-5,8-9,22H2,1H3