3-azanyl-2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butoxycarbonyl]phenanthrene-1-carboxylate

Systemtic Name: 3-azanyl-2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butoxycarbonyl]phenanthrene-1-carboxylate Openeye Name: 3-amino-2-[4-(1,3-dioxoisoindolin-2-yl)butoxycarbonyl]phenanthrene-1-carboxylate CAS Name: 3-amino-2-[4-(1,3-dioxo-2-isoindolyl)butoxy-oxomethyl]-1-phenanthrenecarboxylate IUPAC Name: 3-amino-2-[4-(1,3-dioxoisoindol-2-yl)butoxycarbonyl]phenanthrene-1-carboxylate Traditional Name: 3-amino-2-(4-phthalimidobutoxycarbonyl)phenanthrene-1-carboxylate Formula: C28H21N2O6- MolecularWeight: 481.47614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C(C(=C(C=C32)N)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C(C(=C(C=C32)N)C(=O)OCCCCN4C(=O)C5=CC=CC=C5C4=O)C(=O)[O-]

InChI

InChI=1S/C28H22N2O6/c29-22-15-21-17-8-2-1-7-16(17)11-12-18(21)23(27(33)34)24(22)28(35)36-14-6-5-13-30-25(31)19-9-3-4-10-20(19)26(30)32/h1-4,7-12,15H,5-6,13-14,29H2,(H,33,34)/p-1