methyl 3-[[8-(3-phenylpropyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[8-(3-phenylpropyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamoyl]benzoate Openeye Name: methyl 3-[[8-(3-phenylpropyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamoyl]benzoate CAS Name: 3-[oxo-[[8-(3-phenylpropyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[8-(3-phenylpropyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamoyl]benzoate Traditional Name: 3-[[8-(3-phenylpropyl)-4-oxa-8-azaspiro[4.5]decan-3-yl]methylcarbamoyl]benzoic acid methyl ester Formula: C27H34N2O4 MolecularWeight: 450.56986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NCC2CCC3(O2)CCN(CC3)CCCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NCC2CCC3(O2)CCN(CC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C27H34N2O4/c1-32-26(31)23-11-5-10-22(19-23)25(30)28-20-24-12-13-27(33-24)14-17-29(18-15-27)16-6-9-21-7-3-2-4-8-21/h2-5,7-8,10-11,19,24H,6,9,12-18,20H2,1H3,(H,28,30)