[(3R)-12-(3-azanylpropoxymethyl)-3-ethanoyl-3-oxidanyl-2,4-dihydro-1H-tetracen-5-yl] ethanoate

Systemtic Name: [(3R)-12-(3-azanylpropoxymethyl)-3-ethanoyl-3-oxidanyl-2,4-dihydro-1H-tetracen-5-yl] ethanoate Openeye Name: [(3R)-3-acetyl-12-(3-aminopropoxymethyl)-3-hydroxy-2,4-dihydro-1H-tetracen-5-yl] acetate CAS Name: acetic acid [(3R)-3-acetyl-12-(3-aminopropoxymethyl)-3-hydroxy-2,4-dihydro-1H-tetracen-5-yl] ester IUPAC Name: [(3R)-3-acetyl-12-(3-aminopropoxymethyl)-3-hydroxy-2,4-dihydro-1H-tetracen-5-yl] acetate Traditional Name: acetic acid [(3R)-3-acetyl-12-(3-aminopropoxymethyl)-3-hydroxy-2,4-dihydro-1H-tetracen-5-yl] ester Formula: C26H29NO5 MolecularWeight: 435.51216

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CCC2=C(C3=CC4=CC=CC=C4C=C3C(=C2C1)OC(=O)C)COCCCN)O

Isomeric SMILES

CC(=O)[C@]1(CCC2=C(C3=CC4=CC=CC=C4C=C3C(=C2C1)OC(=O)C)COCCCN)O

InChI

InChI=1S/C26H29NO5/c1-16(28)26(30)9-8-20-23(14-26)25(32-17(2)29)22-13-19-7-4-3-6-18(19)12-21(22)24(20)15-31-11-5-10-27/h3-4,6-7,12-13,30H,5,8-11,14-15,27H2,1-2H3/t26-/m1/s1