[[7-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-7-phenyl-heptanoyl]amino] propanoate

Systemtic Name: [[7-[3-methyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-7-phenyl-heptanoyl]amino] propanoate Openeye Name: [[7-(3-methyl-1,4-dioxo-2-naphthyl)-7-phenyl-heptanoyl]amino] propanoate CAS Name: propanoic acid [[7-(3-methyl-1,4-dioxo-2-naphthalenyl)-1-oxo-7-phenylheptyl]amino] ester IUPAC Name: [[7-(3-methyl-1,4-dioxonaphthalen-2-yl)-7-phenylheptanoyl]amino] propanoate Traditional Name: propionic acid [[7-(1,4-diketo-3-methyl-2-naphthyl)-7-phenyl-heptanoyl]amino] ester Formula: C27H29NO5 MolecularWeight: 447.52286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)ONC(=O)CCCCCC(C1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CCC(=O)ONC(=O)CCCCCC(C1=CC=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C27H29NO5/c1-3-24(30)33-28-23(29)17-9-5-8-14-20(19-12-6-4-7-13-19)25-18(2)26(31)21-15-10-11-16-22(21)27(25)32/h4,6-7,10-13,15-16,20H,3,5,8-9,14,17H2,1-2H3,(H,28,29)