2-diethylaminoethyl 3-azanyl-4-propoxy-benzoate; (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide

Systemtic Name: 2-diethylaminoethyl 3-azanyl-4-propoxy-benzoate; (E)-N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-8-methyl-non-6-enamide Openeye Name: 2-diethylaminoethyl 3-amino-4-propoxy-benzoate; (E)-N-[(4-hydroxy-3-methoxy-phenyl)methyl]-8-methyl-non-6-enamide CAS Name: 3-amino-4-propoxybenzoic acid 2-diethylaminoethyl ester; (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide IUPAC Name: 2-diethylaminoethyl 3-amino-4-propoxybenzoate; (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide Traditional Name: 3-amino-4-propoxy-benzoic acid 2-diethylaminoethyl ester; (E)-8-methyl-N-vanillyl-non-6-enamide Formula: C34H53N3O6 MolecularWeight: 599.80112

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N.CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCCN(CC)CC)N.CC(C)/C=C/CCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C18H27NO3.C16H26N2O3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3;1-4-10-20-15-8-7-13(12-14(15)17)16(19)21-11-9-18(5-2)6-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21);7-8,12H,4-6,9-11,17H2,1-3H3/b8-6+;