heptadecyl 4-[(E)-azanyl-[2,4-bis(oxidanylidene)chromen-3-ylidene]methyl]benzoate

Systemtic Name: heptadecyl 4-[(E)-azanyl-[2,4-bis(oxidanylidene)chromen-3-ylidene]methyl]benzoate Openeye Name: heptadecyl 4-[(E)-amino-(2,4-dioxochroman-3-ylidene)methyl]benzoate CAS Name: 4-[(E)-amino-(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-ylidene)methyl]benzoic acid heptadecyl ester IUPAC Name: heptadecyl 4-[(E)-amino-(2,4-dioxochromen-3-ylidene)methyl]benzoate Traditional Name: 4-[(E)-amino-(2,4-diketochroman-3-ylidene)methyl]benzoic acid heptadecyl ester Formula: C34H45NO5 MolecularWeight: 547.7248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3OC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)/C(=C\2/C(=O)C3=CC=CC=C3OC2=O)/N

InChI

InChI=1S/C34H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-39-33(37)27-23-21-26(22-24-27)31(35)30-32(36)28-19-16-17-20-29(28)40-34(30)38/h16-17,19-24H,2-15,18,25,35H2,1H3/b31-30+