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phenanthridin-6-ylmethyl 2-(1-adamantylcarbonylamino)ethanoate

phenanthridin-6-ylmethyl 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name:phenanthridin-6-ylmethyl 2-(1-adamantylcarbonylamino)ethanoate
Openeye Name:phenanthridin-6-ylmethyl 2-(adamantane-1-carbonylamino)acetate
CAS Name:2-[[1-adamantyl(oxo)methyl]amino]acetic acid 6-phenanthridinylmethyl ester
IUPAC Name:phenanthridin-6-ylmethyl 2-(adamantane-1-carbonylamino)acetate
Traditional Name:2-(adamantane-1-carbonylamino)acetic acid phenanthridin-6-ylmethyl ester
Formula: C27H28N2O3
MolecularWeight: 428.52282
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=NC5=CC=CC=C5C6=CC=CC=C64


Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC4=NC5=CC=CC=C5C6=CC=CC=C64


InChI

InChI=1S/C27H28N2O3/c30-25(15-28-26(31)27-12-17-9-18(13-27)11-19(10-17)14-27)32-16-24-22-7-2-1-5-20(22)21-6-3-4-8-23(21)29-24/h1-8,17-19H,9-16H2,(H,28,31)


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