1-adamantyl hydrogen carbonate; ethanedioic acid; 4-[2-(3-methoxyphenyl)ethyl-propyl-amino]butanamide

Systemtic Name: 1-adamantyl hydrogen carbonate; ethanedioic acid; 4-[2-(3-methoxyphenyl)ethyl-propyl-amino]butanamide Openeye Name: 1-adamantyl hydrogen carbonate; 4-[2-(3-methoxyphenyl)ethyl-propyl-amino]butanamide; oxalic acid CAS Name: carbonic acid 1-adamantyl ester; 4-[2-(3-methoxyphenyl)ethyl-propylamino]butanamide; oxalic acid IUPAC Name: 1-adamantyl hydrogen carbonate; 4-[2-(3-methoxyphenyl)ethyl-propylamino]butanamide; oxalic acid Traditional Name: carbonic acid 1-adamantyl ester; 4-[2-(3-methoxyphenyl)ethyl-propyl-amino]butyramide; oxalic acid Formula: C29H44N2O9 MolecularWeight: 564.66766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(=O)N)CCC1=CC(=CC=C1)OC.C1C2CC3CC1CC(C2)(C3)OC(=O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN(CCCC(=O)N)CCC1=CC(=CC=C1)OC.C1C2CC3CC1CC(C2)(C3)OC(=O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H26N2O2.C11H16O3.C2H2O4/c1-3-10-18(11-5-8-16(17)19)12-9-14-6-4-7-15(13-14)20-2;12-10(13)14-11-4-7-1-8(5-11)3-9(2-7)6-11;3-1(4)2(5)6/h4,6-7,13H,3,5,8-12H2,1-2H3,(H2,17,19);7-9H,1-6H2,(H,12,13);(H,3,4)(H,5,6)