2-[9-(4-aminocarbonylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]propanoate hydrochloride

Systemtic Name: 2-[9-(4-aminocarbonylphenyl)carbonyl-9-azaspiro[5.5]undecan-3-yl]propanoate hydrochloride Openeye Name: 2-[9-(4-carbamoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoate hydrochloride CAS Name: 2-[9-[(4-carbamoylphenyl)-oxomethyl]-9-azaspiro[5.5]undecan-3-yl]propanoate hydrochloride IUPAC Name: 2-[9-(4-carbamoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]propanoate hydrochloride Traditional Name: 2-[9-(4-carbamoylbenzoyl)-9-azaspiro[5.5]undecan-3-yl]propionate hydrochloride Formula: C21H28ClN2O4- MolecularWeight: 407.91102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)N)C(=O)[O-].Cl

Isomeric SMILES

CC(C1CCC2(CC1)CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)N)C(=O)[O-].Cl

InChI

InChI=1S/C21H28N2O4.ClH/c1-14(20(26)27)15-6-8-21(9-7-15)10-12-23(13-11-21)19(25)17-4-2-16(3-5-17)18(22)24;/h2-5,14-15H,6-13H2,1H3,(H2,22,24)(H,26,27);1H/p-1