ethyl 4-[[(2S)-1-[[(3S)-5-azoniaspiro[4.5]decan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoylamino]benzoate

Systemtic Name: ethyl 4-[[(2S)-1-[[(3S)-5-azoniaspiro[4.5]decan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]carbamoylamino]benzoate Openeye Name: ethyl 4-[[(1S)-2-[[(3S)-5-azoniaspiro[4.5]decan-3-yl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoylamino]benzoate CAS Name: 4-[[[[(2S)-1-[[(3S)-5-azoniaspiro[4.5]decan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-1-[[(3S)-5-azoniaspiro[4.5]decan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate Traditional Name: 4-[[(1S)-2-[[(3S)-5-azoniaspiro[4.5]decan-3-yl]amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoylamino]benzoic acid ethyl ester Formula: C28H37N4O5+ MolecularWeight: 509.61718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC3CC[N+]4(C3)CCCCC4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@H]3CC[N+]4(C3)CCCCC4

InChI

InChI=1S/C28H36N4O5/c1-2-37-27(35)21-8-10-22(11-9-21)30-28(36)31-25(18-20-6-12-24(33)13-7-20)26(34)29-23-14-17-32(19-23)15-4-3-5-16-32/h6-13,23,25H,2-5,14-19H2,1H3,(H3-,29,30,31,33,34,35,36)/p+1/t23-,25-/m0/s1