2-dimethylaminoethyl 4-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl-butyl-amino]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[2-(4a-methyl-1-oxidanyl-7-oxidanylidene-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl-butyl-amino]benzoate Openeye Name: 2-dimethylaminoethyl 4-[butyl-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]amino]benzoate CAS Name: 4-[butyl-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-1-oxopropyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[butyl-[2-(1-hydroxy-4a-methyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]amino]benzoate Traditional Name: 4-[butyl-[2-(1-hydroxy-7-keto-4a-methyl-1,2,3,4-tetrahydronaphthalen-2-yl)propanoyl]amino]benzoic acid 2-dimethylaminoethyl ester Formula: C29H40N2O5 MolecularWeight: 496.6383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCCN(C)C)C(=O)C(C)C2CCC3(C=CC(=O)C=C3C2O)C

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCCN(C)C)C(=O)C(C)C2CCC3(C=CC(=O)C=C3C2O)C

InChI

InChI=1S/C29H40N2O5/c1-6-7-16-31(22-10-8-21(9-11-22)28(35)36-18-17-30(4)5)27(34)20(2)24-13-15-29(3)14-12-23(32)19-25(29)26(24)33/h8-12,14,19-20,24,26,33H,6-7,13,15-18H2,1-5H3